(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5,6-Dimethylhepta-3,6-Dien-2-Yl]-10,13-Dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,5,6-Triol
[CAS# 153229-20-0]

Identification

• Name: (3S,5R,6R,9S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5,6-Dimethylhepta-3,6-Dien-2-Yl]-10,13-Dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-3,5,6-Triol
• Synonyms: (3S,5R,6R,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(1R,2E,4R)-1,4,5-Trimethylhexa-2,5-Dienyl]-1,2,3,4,6,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,5,6-Triol; Biemnasterol; Ergosta-7,22,25-Triene-3,5,6-Triol, (3Beta,5Alpha,6Beta,22E,24R)-
• Molecular Formula: C₂₈H₄₄O₃
• Molecular Weight: 428.65
• CAS Registry Number: 153229-20-0
• SMILES: [C@@]14([C@@H](CC[C@@H]1[C@@H](\C=C\[C@H](C(C)=C)C)C)C3=C[C@H]([C@]2(C[C@H](CC[C@@]2([C@H]3CC4)C)O)O)O)C
• InChI: 1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,18-20,22-25,29-31H,1,9-14,16H2,2-6H3/b8-7+/t18-,19-,20+,22-,23+,24+,25-,26-,27-,28+/m1/s1
• InChIKey: IBFQWGIEQHTWFU-LYHJVHLQSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 540.07°C at 760 mmHg (Cal.)
• Flash point: 224.878°C (Cal.)