(3S,10S,13R,14R,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 35963-37-2]

Identification

• Name: (3S,10S,13R,14R,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,10S,13R,14R,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethyl-Hex-4-Enyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,10S,13R,14R,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethylhex-4-Enyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,10S,13R,14R,17R)-17-[(2S,3R)-3-Hydroxy-6-Methyl-Hept-5-En-2-Yl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 35963-37-2
• SMILES: [C@]34([C@](C2=C([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)CC3)(CC[C@@H]4[C@@H]([C@H](O)CC=C(C)C)C)C)C
• InChI: 1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25?,26-,28+,29+,30-/m0/s1
• InChIKey: KKWJCGCIAHLFNE-UJHWODAZSA-N

Properties

• Density: 1.03g/cm³ (Cal.)
• Boiling point: 534.324°C at 760 mmHg (Cal.)
• Flash point: 215.582°C (Cal.)