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

View entire compound with spectra: 2 MS (GC)

(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID KKUUDAb4sPS
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-21,23,25,28H,6-8,11-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey RDCARRZDUKGQRZ-NFTYELEKSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KySrPGE8NzJ
Name (3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 57665-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-21,23,25,28H,6-8,11-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey RDCARRZDUKGQRZ-NFTYELEKSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@@]1(C[C@@]2(C=CC3=C4[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H]
SPLASH splash10-0udi-0289000000-45ea7271818bfa199218
Source of Spectrum KC-0-1700-7
Synonyms (3S,5R,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 831033