(3S,8R,9S,10R,13S,14S,17E)-17-[(4R,5S)-6-Hydroxy-4,5,6-Trimethylheptan-2-Ylidene]-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-3-Ol
[CAS# 153444-87-2]

Identification

• Name: (3S,8R,9S,10R,13S,14S,17E)-17-[(4R,5S)-6-Hydroxy-4,5,6-Trimethylheptan-2-Ylidene]-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8R,9S,10R,13S,14S,17E)-17-[(3R,4S)-5-Hydroxy-1,3,4,5-Tetramethyl-Hexylidene]-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Ol; (3S,8R,9S,10R,13S,14S,17E)-17-[(3R,4S)-5-Hydroxy-1,3,4,5-Tetramethylhexylidene]-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Ol; (3S,8R,9S,10R,13S,14S,17E)-17-[(4R,5S)-6-Hydroxy-4,5,6-Trimethyl-Heptan-2-Ylidene]-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₉H₄₈O₂
• Molecular Weight: 428.70
• CAS Registry Number: 153444-87-2
• SMILES: [C@]13(/C(=C(/C[C@H]([C@@H](C(O)(C)C)C)C)C)CC[C@H]1[C@@H]2CC=C4[C@@]([C@H]2CC3)(CC[C@H](O)C4)C)C
• InChI: 1S/C29H48O2/c1-18(20(3)27(4,5)31)16-19(2)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,6)26(23)13-15-29(24,25)7/h8,18,20,22-23,25-26,30-31H,9-17H2,1-7H3/b24-19+/t18-,20+,22+,23+,25+,26+,28+,29-/m1/s1
• InChIKey: KFFSVXGFRJRKRR-NSUZGPIOSA-N

Properties

• Density: 1.036g/cm³ (Cal.)
• Boiling point: 540.801°C at 760 mmHg (Cal.)
• Flash point: 222.281°C (Cal.)