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

SpectraBase Compound ID	2s4bzzHoraE
InChI	InChI=1S/C33H50O2/c1-22(2)10-9-11-23(3)27-14-15-28-25-16-19-33(35)20-26(24-12-7-6-8-13-24)30(34)21-32(33,5)29(25)17-18-31(27,28)4/h6-8,12-13,22-23,25-29,35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,31-,32-,33-/m1/s1
InChIKey	RAVKUTABBOLNTC-QCQRJPPASA-N Google Search
Mol Weight	478.8 g/mol
Molecular Formula	C33H50O2
Exact Mass	478.381081 g/mol

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SpectraBase Spectrum ID	4Mb3MJlX4QN
Name	(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-5-oxidanyl-3-phenyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H50O2
InChI	InChI=1S/C33H50O2/c1-22(2)10-9-11-23(3)27-14-15-28-25-16-19-33(35)20-26(24-12-7-6-8-13-24)30(34)21-32(33,5)29(25)17-18-31(27,28)4/h6-8,12-13,22-23,25-29,35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,31-,32-,33-/m1/s1
InChIKey	RAVKUTABBOLNTC-QCQRJPPASA-N
Molecular Weight	478.761 g/mol
SMILES	O[C@@]12[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])(CC([C@](c2ccccc2)(C1)[H])=O)C
SPLASH	splash10-014i-0000900000-2b95ed9cd5e7b35b9148
Source of Spectrum	J-62-2980-10
Synonyms	(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-5-hydroxy-10,13-dimethyl-3-phenyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one (3S,5R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenyl-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one
Wiley ID	1394914