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CAS No 434-13-9 , (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,
6,7,8,9,11,12,14,15,16,
17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

  • Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,
    6,7,8,9,11,12,14,15,16,
    17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • Synonyms: 3-Hydroxycholan-24-oic acid; Lithocolic acid; 3alpha-Hydroxy-5beta-cholanic acid; 434-13-9;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,
    6,7,8,9,11,12,14,15,16,
    17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;Lithocholate;
  • CAS Registry Number:
  • Melting Point: 183-188 °C(lit.)
  • Flash Point: 276.9°C
  • Boiling Point: 511°Cat760mmHg
  • Density: 1.073g/cm3
  • Refractive index: 35.5 ° (C=1, EtOH)
  • Safety Statements: Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Flash Point: 276.9°C
  • EINECS: 207-099-1
  • Molecular Weight: 376.5726
  • InchiKey: SMEROWZSTRWXGI-HVATVPOCSA-N
  • InChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-
    23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,
    16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
  • Molecular Formula: C24H40O3
  • Molecular Structure:CAS No:434-13-9 (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,<br />6,7,8,9,11,12,14,15,16,<br />17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

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434-13-9 LITHOCHOLIC ACID; 93%

  • Germany ABCR GmbH & Co KG [Manufacturer]
  • Tel: +49 721 95061-0
  • Fax: +49 721 95061-80
  • Address: Im Schlehert 10
    76187 Karlsruhe
    Germany null,nullGermany
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434-13-9 LITHOCHOLIC ACID

  • Germany CHEMOS GmbH [Manufacturer]
  • Tel: 0049 9402/9336 0
  • Fax: 0049 9402/9336 13
  • Address: CHEMOS GmbH
    Werner-von-Siemensstr. 3
    93128 Regenstauf
    Germany null,nullGermany
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434-13-9 Cholan-24-oic acid,3-hydroxy-, (3a,5b)-

  • China YiPeng Chemical [Manufacturers]
  • Tel: 571 85376369
  • Fax: 571 88233092
  • Address: Building 4,High-tech Industrial Park,No. 588 Feijiatang Road,Xiacheng District, Hangzhou, China null,ZheJiangChina
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434-13-9 Cholan-24-oic acid,3-hydroxy-, (3a,5b)-

  • Hong kong ADVANCED TECH. & IND. CO., LTD. [Distributor/Wholesaler]
  • Tel: 86-23902293
  • Fax: 86-27898314
  • Address: UNIT B, 1/F, CHEONG SHING IND. BLDG., 17 WALNUT ST., TAI KOK TSUI, KLN, HONG KONG Hong Kong,nilHong kong
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434-13-9 LITHOCHOLIC ACID(RG)

  • United States ChromaDex Inc. [Manufacturer]
  • Tel: 949-419-0288
  • Fax: 949-419-0294
  • Address: ChromaDex Inc.
    10005 Muirlands Blvd. Suite G - First Floor
    Irvine, CA 92618 null,nullUnited States
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434-13-9 LITHOCHOLIC-2,2,3,4,4-D5 ACID

  • Canada TLC PharmaChem., Inc. [Manufacturer]
  • Tel: 905-760-1098
  • Fax: 905-760-2098
  • Address: TLC PharmaChem., Inc.
    5-150 Connie Crescent
    Concord, Ontario
    L4K 1L9, Canada null,nullCanada
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434-13-9 LITHOCHOLIC ACID

  • China Nanjing Chemlin Chemical Industry Co.,Ltd. [Manufacturer]
  • Tel: +86 25 8369-7070/ +86 138 51816776 (Mobile)
  • Fax: +86 25 8345-3275
  • Address: Rm.902 Longyin Plaza,
    No. 217 Zhongshan Rd.
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References of (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,
6,7,8,9,11,12,14,15,16,
17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Title: Lithocholic Acid
CAS Registry Number: 434-13-9
CAS Name: (3a,5b)-3-Hydroxycholan-24-oic acid
Synonyms: 3a-hydroxycholanic acid; 17b-(1-methyl-3-carboxypropyl)etiocholan-3a-ol
Molecular Formula: C24H40O3
Molecular Weight: 376.57
Percent Composition: C 76.55%, H 10.71%, O 12.75%
Literature References: Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones. Isoln: Fischer, Z. Physiol. Chem. 73, 234 (1911). Characterization: Wieland, Weyland, ibid. 110, 123 (1920). Prepn from cholic or from desoxycholic acid: Hoehn, Mason, J. Am. Chem. Soc. 62, 569 (1940); Sarel, Yanuka, J. Org. Chem. 24, 2018 (1959). Crystal and molecular structure by x-ray diffraction: S. K. Arora et al., Acta Crystallogr. 32B, 415 (1976).
Properties: Hexagonal leaflets from alcohol, prisms from acetic acid, mp 184-186°. [a]D20 +33.7° (c = 1.5 in abs ethanol); [a]D19 +23.3° (Wieland); [a]D20 +32.1° (Fischer). Freely sol in hot alc. More sol in ether than cholic or desoxycholic acid. Sol in about 10 times its weight of ethyl acetate. Slightly sol in glacial acetic acid (about 0.2 g in 3 ml). More sol in benzene than desoxycholic acid. Insol in petr ether, gasoline, ligroin, water.
Melting point: mp 184-186°
Optical Rotation: [a]D20 +33.7° (c = 1.5 in abs ethanol); [a]D19 +23.3° (Wieland); [a]D20 +32.1° (Fischer)
 
Derivative Type: Methyl ester
Molecular Formula: C25H42O3
Molecular Weight: 390.60
Percent Composition: C 76.87%, H 10.84%, O 12.29%
Properties: Crystallizes with ? mol methanol, mp 125-127°.
Melting point: mp 125-127°
 
Derivative Type: Ethyl ester
Molecular Formula: C26H44O3
Molecular Weight: 404.63
Percent Composition: C 77.18%, H 10.96%, O 11.86%
Properties: Crystals, mp 92-93°.
Melting point: mp 92-93°
 
Derivative Type: Benzyl ester
Molecular Formula: C31H46O3
Molecular Weight: 466.70
Percent Composition: C 79.78%, H 9.93%, O 10.28%
Properties: Crystals, mp 145-148°.
Melting point: mp 145-148°
 
Derivative Type: Acetyllithocholic acid
Molecular Formula: C26H42O4
Molecular Weight: 418.61
Percent Composition: C 74.60%, H 10.11%, O 15.29%
Properties: Crystals, mp 169°.
Melting point: mp 169°
 
Derivative Type: Acetyllithocholic acid methyl ester
Molecular Formula: C27H44O4
Molecular Weight: 432.64
Percent Composition: C 74.96%, H 10.25%, O 14.79%
Properties: Flat needles from pentane, mp 123-130°.
Melting point: mp 123-130°
 
Derivative Type: Acetyllithocholic acid ethyl ester
Molecular Formula: C28H46O4
Molecular Weight: 446.66
Percent Composition: C 75.29%, H 10.38%, O 14.33%
Properties: Crystals, mp 90-91°.
Melting point: mp 90-91°