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(4aR,4bR,6aR,8S,10aR,10bS,12aS)-8-methoxy-10b,12a-dimethyl-2,3,4a,4b,5,6,6a,7,8,9,10,10a,11,12-tetradecahydro-1H-chrysen-4-one

View entire compound with spectra: 1 MS (GC)

(4aR,4bR,6aR,8S,10aR,10bS,12aS)-8-methoxy-10b,12a-dimethyl-2,3,4a,4b,5,6,6a,7,8,9,10,10a,11,12-tetradecahydro-1H-chrysen-4-one
SpectraBase Compound ID 5PQkOepw81
InChI InChI=1S/C21H34O2/c1-20-10-4-5-18(22)19(20)17-8-6-14-13-15(23-3)7-9-16(14)21(17,2)12-11-20/h14-17,19H,4-13H2,1-3H3/t14-,15+,16-,17-,19+,20+,21+/m1/s1
InChIKey RSUUUUKYWWSOCS-QIDSQCPVSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e3L2CygjI
Name (4aR,4bR,6aR,8S,10aR,10bS,12aS)-8-methoxy-10b,12a-dimethyl-2,3,4a,4b,5,6,6a,7,8,9,10,10a,11,12-tetradecahydro-1H-chrysen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-20-10-4-5-18(22)19(20)17-8-6-14-13-15(23-3)7-9-16(14)21(17,2)12-11-20/h14-17,19H,4-13H2,1-3H3/t14-,15+,16-,17-,19+,20+,21+/m1/s1
InChIKey RSUUUUKYWWSOCS-QIDSQCPVSA-N
Molecular Weight 318.501 g/mol
SMILES [C@]12([C@@]([C@]3(C(=O)CCC[C@]3(CC2)C)[H])(CC[C@]2([C@]1(CC[C@](OC)(C2)[H])[H])[H])[H])C
SPLASH splash10-0wmi-9304000000-b9cedd5b3b239e319b99
Source of Spectrum C5-2004-630-22
Wiley ID 1616707