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2-Chloranyl-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

View entire compound with spectra: 1 MS (GC)

2-Chloranyl-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SpectraBase Compound ID Gqyk3IEyr2f
InChI InChI=1S/C22H35ClO2/c1-21-10-8-15(25-3)12-14(21)4-5-16-17-6-7-19(20(24)13-23)22(17,2)11-9-18(16)21/h14-19H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,21-,22-/m0/s1
InChIKey VXDWJLWZTUHUFB-QNEXQYMPSA-N
Mol Weight 367.0 g/mol
Molecular Formula C22H35ClO2
Exact Mass 366.232558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9yQsqvhTR3
Name 2-Chloranyl-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35ClO2
InChI InChI=1S/C22H35ClO2/c1-21-10-8-15(25-3)12-14(21)4-5-16-17-6-7-19(20(24)13-23)22(17,2)11-9-18(16)21/h14-19H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,21-,22-/m0/s1
InChIKey VXDWJLWZTUHUFB-QNEXQYMPSA-N
Molecular Weight 366.973 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])[H])(CC[C@@]1(C(=O)CCl)[H])[H])C
SPLASH splash10-066r-0059000000-4b38e8f980edc338fd98
Source of Spectrum SK-23-1113-2
Synonyms 2-Chloro-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 865530