3-Hydroxy-(3alpha)-urs-12-en-28-oic acid methyl ester
[CAS# 915-32-2]

Identification

• Name: 3-Hydroxy-(3alpha)-urs-12-en-28-oic acid methyl ester
• Synonyms: (1S,2R,4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-Hydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-4A-Carboxylic Acid Methyl Ester; Megxp0_001727; 10-Hydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,6B,7,8,8A,9
• Molecular Formula: C₃₁H₅₀O₃
• Molecular Weight: 470.73
• CAS Registry Number: 915-32-2
• SMILES: [C@]24(C(=CC[C@@H]3[C@@]1([C@H](C(C)(C)[C@H](CC1)O)CC[C@@]23C)C)[C@H]5[C@@](C(=O)OC)(CC4)CC[C@H]([C@@H]5C)C)C
• InChI: 1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
• InChIKey: YCBSMEKEDOHEQI-QHQGJMPNSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 529.182°C at 760 mmHg (Cal.)
• Flash point: 192.191°C (Cal.)