(3S,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R)-6-methyl-3-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

SpectraBase Compound ID	Hm6FKfhSGVw
InChI	InChI=1S/C27H46O3/c1-16(2)6-11-23(28)17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18-,19+,20-,21-,23+,24-,25+,26+,27+/m0/s1
InChIKey	ZSNZJJYKGGJXRT-ULFBJNFVSA-N Google Search
Mol Weight	418.7 g/mol
Molecular Formula	C27H46O3
Exact Mass	418.344695 g/mol

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SpectraBase Spectrum ID	ClUkdC6AFEA
Name	(3S,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R)-6-methyl-3-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
Alternate Name(s)	(3S,4R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol (3S,4R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46O3
InChI	InChI=1S/C27H46O3/c1-16(2)6-11-23(28)17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18-,19+,20-,21-,23+,24-,25+,26+,27+/m0/s1
InChIKey	ZSNZJJYKGGJXRT-ULFBJNFVSA-N
Molecular Weight	418.662 g/mol
SMILES	O[C@@]([C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@](CC[C@@]([C@@]4(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H])(CCC(C)C)[H]
SPLASH	splash10-0fk9-3247900000-6c6214525a3575511dc4
Source of Spectrum	G4-63-641-8
Wiley ID	1608385