(3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester

SpectraBase Compound ID	IvEKqWqaaZz
InChI	InChI=1S/C28H38O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,24-25H,7,10-17H2,1-4H3/t19-,20-,24+,25-,27+,28+/m1/s1
InChIKey	KRPNETQPPUYJPT-RHOCCSNNSA-N Google Search
Mol Weight	486.7 g/mol
Molecular Formula	C28H38O5S
Exact Mass	486.243995 g/mol

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SpectraBase Spectrum ID	G0kgKlKc97Y
Name	(3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
CAS Registry Number	109271-22-9
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H38O5S
InChI	InChI=1S/C28H38O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,24-25H,7,10-17H2,1-4H3/t19-,20-,24+,25-,27+,28+/m1/s1
InChIKey	KRPNETQPPUYJPT-RHOCCSNNSA-N
Molecular Weight	486.667 g/mol
SMILES	[C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C[C@]2(CCC3=C4CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(C(=O)OC)[H])[H])[H]
SPLASH	splash10-0006-9000000000-568c6ea6edaaa8440889
Source of Spectrum	H-69-1849-11
Synonyms	(3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-tosyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester methyl (3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate methyl (3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylsulfonyloxy)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
Wiley ID	1396511