(3S,7S,8S,9S,10R,13R,14S,17R)-3-chloranyl-7-(dioxidanyl)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

SpectraBase Compound ID	9mg9XaVAjj5
InChI	InChI=1S/C29H47ClO2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h8-9,17-20,22-27,31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey	HOUYAEWERLGORC-KQASBSEXSA-N Google Search
Mol Weight	463.1 g/mol
Molecular Formula	C29H47ClO2
Exact Mass	462.326458 g/mol

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SpectraBase Spectrum ID	4vy3X1RiyUQ
Name	(3S,7S,8S,9S,10R,13R,14S,17R)-3-chloranyl-7-(dioxidanyl)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H47ClO2
InChI	InChI=1S/C29H47ClO2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h8-9,17-20,22-27,31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
InChIKey	HOUYAEWERLGORC-KQASBSEXSA-N
Molecular Weight	463.146 g/mol
SMILES	OO[C@@]1(C=C2[C@@]([C@]3(CC[C@]4([C@]([C@]13[H])(CC[C@@]4([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])(CC[C@](Cl)(C2)[H])C)[H]
SPLASH	splash10-0002-0000900000-a2ff87b02a64b3285423
Source of Spectrum	KC-0-2356-4
Synonyms	(3S,7S,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (3S,7S,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID	830880