Jolkinol B
[CAS# 62820-12-6]

Identification

• Name: Jolkinol B
• Synonyms: 2-Propenoic Acid, 3-Phenyl-, 1A,1B,2,3,4,5,7A,8,8A,9,10,10A-Dodecahydro-2-Hydroxy-3,6,8,8,10A-Pentamethyl-5-Oxo-4Ah-Cyclopenta(3,4)Cyclopropa(8,9)Cycloundec(1,2-B)Oxiren-4A-Yl Ester, (1As-(1Ar*,1Br*,2R*,3R*,4As*(E),6E,7As*,8Ar*,10As*))-; Jolkinol B
• Molecular Formula: C₂₉H₃₆O₅
• Molecular Weight: 464.60
• CAS Registry Number: 62820-12-6
• SMILES: C5=C(/C=C/C(OC34C(C1OC1(CCC2C(C2/C=C(C3=O)/C)(C)C)C)C(O)C(C4)C)=O)C=CC=C5
• InChI: 1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15-
• InChIKey: OMBNGHNNZSKBRK-GFVMPMKXSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 598.761°C at 760 mmHg (Cal.)
• Flash point: 193.998°C (Cal.)