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(3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 2 MS (GC)

(3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 7eXzbQpPe9u
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/h12,18-21,23,28H,6-11,13-17H2,1-5H3/t19-,20-,21+,23-,26+,27-/m1/s1
InChIKey AWBZPJQUWZBRII-MQVHVMQLSA-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 BoBRufEztKJ
Name (3S,5R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,5R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 113349-59-0
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/h12,18-21,23,28H,6-11,13-17H2,1-5H3/t19-,20-,21+,23-,26+,27-/m1/s1
InChIKey AWBZPJQUWZBRII-MQVHVMQLSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@@]1(C[C@]2(CCC=3C=4[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(CCC3[C@]2(CC1)C)C)[H])[H]
SPLASH splash10-0pwi-2019000000-27a48934fcb3f093d167
Source of Spectrum J-53-1719-5
Wiley ID 1361985