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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R,4R)-1-methyl-4-[(1R,2R)-2-methylcyclopropyl]pentyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID CDh0u0pADE3
InChI InChI=1S/C29H48O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h8,18-20,22-27,30H,6-7,9-17H2,1-5H3/t18-,19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey AOOVLQXWRHMRMX-BFPAFGTMSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdoNxS6VbSp
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R,4R)-1-methyl-4-[(1R,2R)-2-methylcyclopropyl]pentyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 67314-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h8,18-20,22-27,30H,6-7,9-17H2,1-5H3/t18-,19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey AOOVLQXWRHMRMX-BFPAFGTMSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC[C@]([C@@]1(C[C@]1(C)[H])[H])(C)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-03di-0055900000-e40003e3d0a52c252ffd
Source of Spectrum H-62-1215-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24r(1R,2R))- 26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24r(1S,2R))- Petrosterol
Wiley ID 1374756