(2Z,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(oxidanylmethylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	aiUiY8uHYw
InChI	InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17-/t19-,21+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey	HANWTWIRKYRHGG-RTSMANDKSA-N Google Search
Mol Weight	414.7 g/mol
Molecular Formula	C28H46O2
Exact Mass	414.349781 g/mol

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SpectraBase Spectrum ID	5AExPqka3C6
Name	(2Z,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-(oxidanylmethylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O2
InChI	InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26(30)20(17-29)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17-/t19-,21+,22+,23-,24+,25+,27-,28+/m1/s1
InChIKey	HANWTWIRKYRHGG-RTSMANDKSA-N
Molecular Weight	414.674 g/mol
SMILES	O\C=C\1C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC1=O)[H])[H])C
SPLASH	splash10-0cdi-9553700000-ebf7c7b5ca6c4f9d13db
Source of Spectrum	U-1995-893-4
Synonyms	(2Z,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-(hydroxymethylene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (2Z,5S,8R,9S,10S,13R,14S,17R)-2-(hydroxymethylidene)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID	766887