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20-(R)-(penta-2',4'-diynyl)-pregn-5-en-3-β-ol
SpectraBase Compound ID 1S3awIVDFTT
InChI InChI=1S/C26H36O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h1,9,18,20-24,27H,8,10-17H2,2-4H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey WZMGRYXUFZCFTR-XSLNCIIRSA-N
Mol Weight 364.6 g/mol
Molecular Formula C26H36O
Exact Mass 364.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvC4lidk17A
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylhexa-3,5-diynyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O
InChI InChI=1S/C26H36O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h1,9,18,20-24,27H,8,10-17H2,2-4H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey WZMGRYXUFZCFTR-XSLNCIIRSA-N
Molecular Weight 364.573 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC#CC#C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-05mo-9702000000-dccef624f869f81cac93
Source of Spectrum KC-0-2939-4
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hepta-4,6-diyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 784531