(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-3-Hydroxy-11-(Hydroxymethyl)-4,4,6a,6b,8a,11,14b-Heptamethyl-2,3,4a,5,7,8,9,10,12,12a,13,14-Dodecahydro-1H-Picen-6-One
[CAS# 143183-47-5]

Identification

• Name: (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-3-Hydroxy-11-(Hydroxymethyl)-4,4,6a,6b,8a,11,14b-Heptamethyl-2,3,4a,5,7,8,9,10,12,12a,13,14-Dodecahydro-1H-Picen-6-One
• Synonyms: (3R,4Ar,6As,6Bs,8As,11R,12Ar,14Bs)-3-Hydroxy-4,4,6A,6B,8A,11,14B-Heptamethyl-11-Methylol-2,3,4A,5,7,8,9,10,12,12A,13,14-Dodecahydro-1H-Picen-6-One; (3R,4Ar,6Bs,8As,11R,12Ar,12Bs,14Bs)-3-Hydroxy-11-Hydroxymethyl-4,4,6B,8A,11,12B,14B-Heptamethyl-1,3,4,4A,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14B-Octadecahydro-2H-Picen-6-One; 7-Oxodihydrokarounidiol
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.71
• CAS Registry Number: 143183-47-5
• SMILES: [C@]35(C2=C([C@]1(CC[C@H](C([C@@H]1CC2=O)(C)C)O)C)CC[C@]3([C@@H]4C[C@@](CO)(C)CC[C@@]4(CC5)C)C)C
• InChI: 1S/C30H48O3/c1-25(2)21-16-20(32)24-19(28(21,5)10-9-23(25)33)8-11-29(6)22-17-26(3,18-31)12-13-27(22,4)14-15-30(24,29)7/h21-23,31,33H,8-18H2,1-7H3/t21-,22+,23+,26+,27+,28+,29-,30+/m0/s1
• InChIKey: LGSJWAHGGJDXIU-YLUXGQHSSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 559.872°C at 760 mmHg (Cal.)
• Flash point: 306.455°C (Cal.)