(2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR)-10,11-Dihydroxy-1,2,6a,6b,9,9,12a-Heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-Dodecahydro-2H-Picene-4alpha-Carboxylic Acid
[CAS# 129058-59-9]

Identification

• Name: (2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR)-10,11-Dihydroxy-1,2,6a,6b,9,9,12a-Heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-Dodecahydro-2H-Picene-4alpha-Carboxylic Acid
• Synonyms: Goreishic Acid I; Ursa-12,18-Dien-28-Oic Acid, 2,3-Dihydroxy-, (2Alpha,3Beta)-; (2Alpha,3Beta)-2,3-Dihydroxyursa-12,18-Dien-28-Oic Acid
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.69
• CAS Registry Number: 129058-59-9
• SMILES: [C@]45([C@H]3CC=C2C1=C([C@@H](CC[C@]1(C(=O)O)CC[C@]2([C@@]3(CC[C@H]4C(C)(C)[C@H]([C@@H](C5)O)O)C)C)C)C)C
• InChI: 1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17,20-22,24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,20-,21+,22-,24+,27+,28-,29-,30+/m1/s1
• InChIKey: HHTRBFQBAMTIOP-SWPOCXOTSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 589.283°C at 760 mmHg (Cal.)
• Flash point: 324.222°C (Cal.)