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(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

View entire compound with spectra: 1 MS (GC)

(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
SpectraBase Compound ID A3TxPg9X8IZ
InChI InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-20,22-23,25-27H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey BHZSLZOJNSDNOI-SGUBZQMTSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrcObeEwALK
Name (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-20,22-23,25-27H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey BHZSLZOJNSDNOI-SGUBZQMTSA-N
Molecular Weight 428.701 g/mol
SMILES [C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4(C3=CC[C@]2(C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(OC(=O)C)[H]
SPLASH splash10-056r-4961400000-bdc3ffa85cdc9535aca3
Source of Spectrum Natalia V. Ivanchina, et al. Steroids, V.78, 2013, P.1183-1191
Wiley ID 1817339