1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(Oxan-2-Yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-4,5-Dimethylhex-4-En-1-One
[CAS# 138780-09-3]

Identification

• Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(Oxan-2-Yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-4,5-Dimethylhex-4-En-1-One
• Synonyms: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Tetrahydropyran-2-Yloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-4,5-Dimethyl-Hex-4-En-1-One; 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(2-Tetrahydropyranyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-4,5-Dimethylhex-4-En-1-One; 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-(Oxan-2-Yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-4,5-Dimethyl-Hex-4-En-1-One
• Molecular Formula: C₃₂H₅₂O₃
• Molecular Weight: 484.76
• CAS Registry Number: 138780-09-3
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)C[C@@H](OC2OCCCC2)CC3)C)CC[C@]5([C@H]4CC[C@@H]5C(=O)CCC(=C(C)C)C)C
• InChI: 1S/C32H52O3/c1-21(2)22(3)9-14-29(33)28-13-12-26-25-11-10-23-20-24(35-30-8-6-7-19-34-30)15-17-31(23,4)27(25)16-18-32(26,28)5/h23-28,30H,6-20H2,1-5H3/t23-,24-,25-,26-,27-,28+,30?,31-,32-/m0/s1
• InChIKey: PDQVGMBTBSWHHS-MMJHSARJSA-N