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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-2-carbaldehyde
SpectraBase Compound ID 8m0bOmeBMea
InChI InChI=1S/C19H24O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-10,13-14,16,18,21-22H,2-7H2,1H3/t13-,14+,16-,18-,19-/m0/s1
InChIKey GRWCHGOKIWOAEF-NNYOOSKESA-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 A1OKq0eC5DC
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-2-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-2-carbaldehyde (8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxaldehyde
CAS Registry Number 6599-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-10,13-14,16,18,21-22H,2-7H2,1H3/t13-,14+,16-,18-,19-/m0/s1
InChIKey GRWCHGOKIWOAEF-NNYOOSKESA-N
Molecular Weight 300.398 g/mol
SMILES Oc1c(cc2c(CC[C@]3([C@]4([C@@]([C@](CC4)(O)[H])(CC[C@]23[H])C)[H])[H])c1)C=O
SPLASH splash10-0udi-0549000000-e7662ace1b39283f31cc
Source of Spectrum B-42-414-1
Wiley ID 1303233