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(3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(2-oxanyloxy)-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(2-oxanyloxy)-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 5pqP1Hke64X
InChI InChI=1S/C24H36O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h8-9,16-20,22H,3-7,10-15H2,1-2H3/t16-,17+,18+,19+,20+,22?,23+,24+/m1/s1
InChIKey ACXXSGFNJCISSL-NFPCVBQDSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RHLuf1XYeE
Name (3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(2-oxanyloxy)-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h8-9,16-20,22H,3-7,10-15H2,1-2H3/t16-,17+,18+,19+,20+,22?,23+,24+/m1/s1
InChIKey ACXXSGFNJCISSL-NFPCVBQDSA-N
Molecular Weight 372.549 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(C=CC([C@]4(CC3)C)=O)[H])([H])CC[C@@]2(C[C@@](OC2OCCCC2)(CC1)[H])[H])[H])C
SPLASH splash10-05g3-9050000000-2f0261cc21189e067313
Source of Spectrum J-60-1825-4
Synonyms (3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one (3S,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-3-tetrahydropyran-2-yloxy-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-17-one
Wiley ID 1355835