Methyl (2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS)-3,10-Dihydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-Dodecahydropicene-2-Carboxylate
[CAS# 38987-84-7]

Identification

• Name: Methyl (2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS)-3,10-Dihydroxy-2,4a,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-Dodecahydropicene-2-Carboxylate
• Synonyms: (2S,3R,4As,6Ar,6As,6Br,8Ar,10S,12As)-3,10-Dihydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12-Dodecahydropicene-2-Carboxylic Acid Methyl Ester; Macedonic Acid Methyl Ester; Oleana-11,13(18)-Dien-29-Oic Acid, 3,21-Dihydroxy-, Methyl Ester, (3Beta,20Alpha,21Alpha)-
• Molecular Formula: C₃₁H₄₈O₄
• Molecular Weight: 484.72
• CAS Registry Number: 38987-84-7
• SMILES: [C@@H]34[C@]([C@]1(C(=C2[C@@](CC1)(C[C@@H](O)[C@](C2)(C(OC)=O)C)C)C=C3)C)(CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C
• InChI: 1S/C31H48O4/c1-26(2)21-11-14-31(7)22(28(21,4)13-12-23(26)32)10-9-19-20-17-29(5,25(34)35-8)24(33)18-27(20,3)15-16-30(19,31)6/h9-10,21-24,32-33H,11-18H2,1-8H3/t21-,22+,23-,24+,27-,28-,29-,30+,31+/m0/s1
• InChIKey: RPZZWTJIBLMBTQ-PLAUNNMJSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 566.813°C at 760 mmHg (Cal.)
• Flash point: 173.932°C (Cal.)