Home > Name List By other > (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2, 6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,... China

CAS No 465-99-6 , (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,
6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,
14b-tetradecahydropicene-4a-carboxylic acid Search by region : China

  • Name: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,
    6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,
    14b-tetradecahydropicene-4a-carboxylic acid
  • Synonyms: 465-99-6; Astrantiagenin E; NSC24954; NSC 24954; Hederagenic acid;Caulosapogenin; CHEBI:69579;(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,
    6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,
    14b-tetradecahydropicene-4a-carboxylic acid; Hederagenol;
  • CAS Registry Number:
  • Melting Point: 332 - 334
  • Flash Point: 324.3°C
  • Boiling Point: 589.4°Cat760mmHg
  • Density: 1.14g/cm3
  • Refractive index: 1.569
  • Safety Statements:
    Hazard Codes Xi
    Risk Statements 22
    Safety Statements 22-45
  • Hazard Symbols: Xi: Irritant;
  • Flash Point: 324.3°C
  • EINECS: 207-369-9
  • Molecular Weight: 472.69972
  • InchiKey: PGOYMURMZNDHNS-MYPRUECHSA-N
  • InChI: InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-
    8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,
    8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
  • Risk Statements: 22
  • Molecular Formula: C30H48O4
  • Molecular Structure:CAS No:465-99-6 (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,<br />6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,<br />14b-tetradecahydropicene-4a-carboxylic acid

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References of (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,
6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,
14b-tetradecahydropicene-4a-carboxylic acid
Title: Hederagenin
CAS Registry Number: 465-99-6
CAS Name: (3b,4a)-3,23-Dihydroxyolean-12-en-28-oic acid
Synonyms: caulosapogenin; melanthigenin
Molecular Formula: C30H48O4
Molecular Weight: 472.70
Percent Composition: C 76.23%, H 10.24%, O 13.54%
Literature References: Occurs as glycoside in many saponins, see a-Hederin. Isoln and structure: van der Haar, Arch. Pharm. 250, 424 (1912); Ruzicka et al., Helv. Chim. Acta 28, 380 (1945); Haynes et al., J. Chem. Soc. 1963, 744. Identity with melanthigenin: Mustafa, Soliman, ibid. 1943, 70. Identity with caulosapogenin: McShefferty, Stenlake, ibid. 1956, 2314. Molecular and crystal structure: R. Roques et al., Acta Crystallogr. B34, 1634 (1978). See also a- and b-Amyrin and Oleanolic Acid.
Properties: Crystals from alc, mp 332-334°. [a]D20 +81° (c = 0.7 in pyridine). Freely sol in pyridine; sol in chloroform-alcohol mixtures; slowly sol in alcohol; practically insol in water; sol in dil alcoholic NaOH, but not in water solns of alkalies.
Melting point: mp 332-334°
Optical Rotation: [a]D20 +81° (c = 0.7 in pyridine)
 
Derivative Type: Diacetate
Properties: mp 172-174°. [a]D20 +64° (CHCl3).
Melting point: mp 172-174°
Optical Rotation: [a]D20 +64° (CHCl3)
 
Derivative Type: Methyl ester
Properties: mp 240°. [a]D23 +76° (c = 0.8 in CHCl3).
Melting point: mp 240°
Optical Rotation: [a]D23 +76° (c = 0.8 in CHCl3)