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(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4-carbaldehyde
SpectraBase Compound ID 9rLFJzXU31S
InChI InChI=1S/C19H24O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,18,21-22H,2-3,5,7-9H2,1H3/t13-,14-,16+,18+,19+/m1/s1
InChIKey GUJSHAHJIQWGNF-AFTVQHQSSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9F170AQl33e
Name (8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4-carbaldehyde
Alternate Name(s) (8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4-carbaldehyde (8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4-carboxaldehyde
CAS Registry Number 123715-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,18,21-22H,2-3,5,7-9H2,1H3/t13-,14-,16+,18+,19+/m1/s1
InChIKey GUJSHAHJIQWGNF-AFTVQHQSSA-N
Molecular Weight 300.398 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@](CC4)(O)[H])(CC[C@]23[H])C)[H])[H])c1C=O
SPLASH splash10-0udi-0319000000-b7b843619fe17eb4fc55
Source of Spectrum B-42-417-14
Wiley ID 1303234