(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-Dihydroxy-9-(Hydroxymethyl)-2,4a,6a,6b,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2-Carboxylic Acid
[CAS# 131177-50-9]

Identification

• Name: (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-Dihydroxy-9-(Hydroxymethyl)-2,4a,6a,6b,9,12a-Hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2-Carboxylic Acid
• Synonyms: (2S,3R,4As,6Ar,6As,6Br,9S,10S,12Ar,14Bs)-3,10-Dihydroxy-2,4A,6A,6B,9,12A-Hexamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid; 3Beta,21Alpha,24-Trihydroxyolean-12-En-30-Oic Acid; Olean-12-En-29-Oic Acid, 3,21,23-Trihydroxy-, (3Beta,4Beta,20Beta,21Alpha)-
• Molecular Formula: C₃₀H₄₈O₅
• Molecular Weight: 488.71
• CAS Registry Number: 131177-50-9
• SMILES: [C@@]23([C@@H]([C@@]1(C([C@]([C@@H](O)CC1)(CO)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@]([C@H](O)C5)(C(=O)O)C)C)C)C
• InChI: 1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23-,25+,26+,27+,28-,29-,30-/m1/s1
• InChIKey: ZXWLSOQCDSAYHO-CXPCWDADSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 620.574°C at 760 mmHg (Cal.)
• Flash point: 343.125°C (Cal.)