Lantadene B
[CAS# 467-82-3]

Identification

• Name: Lantadene B
• Synonyms: (4R)-2,2,6A,6B,9,9,12A-Heptamethyl-4-[(Z)-2-Methyl-1-Oxobut-2-Enoxy]-10-Oxo-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-4A-Carboxylic Acid; (4R)-10-Keto-2,2,6A,6B,9,9,12A-Heptamethyl-4-[(Z)-2-Methylbut-2-Enoyl]Oxy-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-4A-Carboxylic Acid; 22-((3-Methyl-1-Oxo-2-Butenyl)Oxy)-3-Oxo-Olean-12-En-28-Oic Acid, (22,Beta)-
• Molecular Formula: C₃₅H₅₂O₅
• Molecular Weight: 552.79
• CAS Registry Number: 467-82-3
• SMILES: [C@H]5(OC(=O)C(=C\C)/C)C2(C(C1=CCC3C(C1(CC2)C)(CCC4C3(CCC(=O)C4(C)C)C)C)CC(C5)(C)C)C(=O)O
• InChI: 1S/C35H52O5/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/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23?,24?,25?,27-,32?,33?,34?,35?/m1/s1
• InChIKey: KCLIRHUTOPOHKJ-VZVJZSTOSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 626.336°C at 760 mmHg (Cal.)
• Flash point: 187.914°C (Cal.)