(3beta)-Stigmastan-3-Ol
[CAS# 19466-47-8]

Identification

• Name: (3beta)-Stigmastan-3-Ol
• Synonyms: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₉H₅₂O
• Molecular Weight: 416.73
• CAS Registry Number: 19466-47-8
• EINECS: 243-087-2
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC[C@H](C(C)C)CC)C)(CC[C@@H]2[C@@]4([C@@H](CC3)C[C@@H](O)CC4)C)C
• InChI: 1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
• InChIKey: LGJMUZUPVCAVPU-HRJGVYIJSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 471.9±13.0°C at 760 mmHg (Cal.)
• Flash point: 197.1±12.3°C (Cal.)

References

• (1): Ji-Zhong Wang, Yu-Feng Guan, Hong-Gang Ni, Gui-Jian Liu and Eddy Y. Zeng. Fecal steroids in riverine runoff of the Pearl River Delta, South China: Levels, potential sources and inputs to the coastal ocean, J. Environ. Monit., 2010, 12, 280.