(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	AaEeWPtTlUO
InChI	InChI=1S/C27H40O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,12,15,17-18,21-24,29H,6-7,10-11,13-14,16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey	HIRJUBYXEOKIMY-REEZCCHISA-N Google Search
Mol Weight	396.6 g/mol
Molecular Formula	C27H40O2
Exact Mass	396.302831 g/mol

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SpectraBase Spectrum ID	OwT15rIJgA
Name	(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number	51297-13-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H40O2
InChI	InChI=1S/C27H40O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,12,15,17-18,21-24,29H,6-7,10-11,13-14,16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey	HIRJUBYXEOKIMY-REEZCCHISA-N
Molecular Weight	396.615 g/mol
SMILES	OC(CCC[C@]([C@@]1([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(C=CC=1[C@@]3(C=CC(=O)C1)C)[H])[H])C)[H])(C)[H])(C)C
SPLASH	splash10-00or-9077000000-44f9e88aacb50a75b0bf
Source of Spectrum	H-64-1880-0
Synonyms	(8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one 25-hydroxycholesta-1,4,6-trien-3-one
Wiley ID	1367754