(5xi,18alpha,22beta)-22-{[(2S)-2-Methylbutanoyl]oxy}-3-oxoolean-12-en-28-oic acid
[CAS# 88034-27-9]

Identification

• Name: (5xi,18alpha,22beta)-22-{[(2S)-2-Methylbutanoyl]oxy}-3-oxoolean-12-en-28-oic acid
• Synonyms: Dihydrolantadene A; Lantadene C
• Molecular Formula: C₃₅H₅₄O₅
• Molecular Weight: 554.80
• CAS Registry Number: 88034-27-9
• SMILES: O=C4C(C)(C)C5CC[C@@]1([C@H](C/C=C2\[C@]1(CC[C@@]3(C(=O)O)[C@H](OC(=O)[C@@H](C)CC)CC(C)(C)C[C@H]23)C)[C@@]5(C)CC4)C
• InChI: 1S/C35H54O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h11,21,23-25,27H,10,12-20H2,1-9H3,(H,38,39)/t21-,23+,24?,25+,27+,32-,33+,34+,35-/m0/s1
• InChIKey: KVXZSWTXYDUXID-IXQBYEQGSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 620.344°C at 760 mmHg (Cal.)
• Flash point: 184.856°C (Cal.)