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

View entire compound with spectra: 1 MS (GC)

(3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID KJzuuKNxE4
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/h10,12,18-21,23,25,28H,6-9,11,13-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey NOAOUCIADHLDPJ-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 COR7nFjqytw
Name (3S,5S,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 34227-11-7
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/h10,12,18-21,23,25,28H,6-9,11,13-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey NOAOUCIADHLDPJ-NFTYELEKSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@@]1(C[C@@]2(CC=C3C=4[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H]
SPLASH splash10-0uxr-0259000000-b2f24ee95de01ea63c65
Source of Spectrum KC-0-1701-8
Wiley ID 831028