(3S,6aR,6bS,8R,8aS,11R,12aR,14aR,14bR)-8a,11-Bis(Hydroxymethyl)-4,4,6a,6b,11,14b-Hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-Tetradecahydropicene-3,8-Diol
[CAS# 3345-34-4]

Identification

• Name: (3S,6aR,6bS,8R,8aS,11R,12aR,14aR,14bR)-8a,11-Bis(Hydroxymethyl)-4,4,6a,6b,11,14b-Hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-Tetradecahydropicene-3,8-Diol
• Synonyms: (3S,6Ar,6Bs,8R,8As,11R,12Ar,14Ar,14Br)-4,4,6A,6B,11,14B-Hexamethyl-8A,11-Dimethylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicene-3,8-Diol; Olean-12-Ene-3,16,28,29-Tetrol, (3Beta,16Alpha,20Beta)-; (3Beta,16Alpha,20Beta)-Olean-12-Ene-3,16,28,29-Tetrol
• Molecular Formula: C₃₀H₅₀O₄
• Molecular Weight: 474.72
• CAS Registry Number: 3345-34-4
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C(C([C@@H](O)CC2)(C)C)CC3)C)[C@@H]5[C@@]([C@H](O)C4)(CC[C@](C5)(CO)C)CO)C)C
• InChI: 1S/C30H50O4/c1-25(2)21-9-12-28(5)22(27(21,4)11-10-23(25)33)8-7-19-20-15-26(3,17-31)13-14-30(20,18-32)24(34)16-29(19,28)6/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21?,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
• InChIKey: MCZHPIHVRHTCIM-PWVPJEEXSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 586.432°C at 760 mmHg (Cal.)
• Flash point: 240.936°C (Cal.)