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(4S,5S,8R,9S,10R,13S,14S)-10-(hydroxymethyl)-13-methyl-4,5-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4S,5S,8R,9S,10R,13S,14S)-10-(hydroxymethyl)-13-methyl-4,5-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 1l988vJnfMj
InChI InChI=1S/C19H30O4/c1-17-9-7-14-12(13(17)4-5-15(17)21)6-10-19(23)16(22)3-2-8-18(14,19)11-20/h12-14,16,20,22-23H,2-11H2,1H3/t12-,13-,14-,16-,17-,18-,19+/m0/s1
InChIKey PDADACWPADBHRT-KRTMBEFCSA-N
Mol Weight 322.44 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTF2T73f1ex
Name (4S,5S,8R,9S,10R,13S,14S)-10-(hydroxymethyl)-13-methyl-4,5-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-17-9-7-14-12(13(17)4-5-15(17)21)6-10-19(23)16(22)3-2-8-18(14,19)11-20/h12-14,16,20,22-23H,2-11H2,1H3/t12-,13-,14-,16-,17-,18-,19+/m0/s1
InChIKey PDADACWPADBHRT-KRTMBEFCSA-N
Molecular Weight 322.445 g/mol
SMILES O[C@]1(CCC[C@]2(CO)[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]12O)[H])[H])=O)C)[H])[H]
SPLASH splash10-0fk9-0195000000-d0b1a63b47badaadcd7b
Source of Spectrum E2-50-704-11
Synonyms (4S,5S,8R,9S,10R,13S,14S)-4,5-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (4S,5S,8R,9S,10R,13S,14S)-4,5-dihydroxy-13-methyl-10-methylol-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Wiley ID 1555884