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(10S,13S,16E)-10,13-dimethyl-16-(2-thenylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(10S,13S,16E)-10,13-dimethyl-16-(2-thenylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 9sIQ02c6r8k
InChI InChI=1S/C24H34O2S/c1-23-9-7-17(25)14-16(23)5-6-19-20(23)8-10-24(2)21(19)13-15(22(24)26)12-18-4-3-11-27-18/h3-4,11-12,16-17,19-22,25-26H,5-10,13-14H2,1-2H3/b15-12+/t16?,17?,19?,20?,21?,22?,23-,24-/m0/s1
InChIKey VBRMEHQXAMZRMQ-BKCJMKSUSA-N
Mol Weight 386.6 g/mol
Molecular Formula C24H34O2S
Exact Mass 386.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23n0BAvdBm8
Name (10S,13S,16E)-10,13-dimethyl-16-(2-thenylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O2S
InChI InChI=1S/C24H34O2S/c1-23-9-7-17(25)14-16(23)5-6-19-20(23)8-10-24(2)21(19)13-15(22(24)26)12-18-4-3-11-27-18/h3-4,11-12,16-17,19-22,25-26H,5-10,13-14H2,1-2H3/b15-12+/t16?,17?,19?,20?,21?,22?,23-,24-/m0/s1
InChIKey VBRMEHQXAMZRMQ-BKCJMKSUSA-N
Molecular Weight 386.594 g/mol
SMILES OC1CC2[C@@](C3CC[C@]4(C(C\C(C4O)=C\c4sccc4)C3CC2)C)(CC1)C
SPLASH splash10-074m-9830000000-46d2d0074781498769f1
Synonyms (10S,13S,16E)-10,13-dimethyl-16-(2-thienylmethylene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol (10S,13S,16E)-10,13-dimethyl-16-(thiophen-2-ylmethylidene)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1445043