(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	HN9pgYjWDAv
InChI	InChI=1S/C27H46O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t19-,21+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey	OJUSVVMRDIXPCC-QGCYDVEPSA-N Google Search
Mol Weight	402.7 g/mol
Molecular Formula	C27H46O2
Exact Mass	402.349781 g/mol

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SpectraBase Spectrum ID	AJ69yL0t642
Name	(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s)	(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-1-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8S,9S,10R,13S,14S,17R)-17-[(1R)-1-(hydroxymethyl)-5-methyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8S,9S,10R,13S,14S,17R)-17-[(2R)-1-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46O2
InChI	InChI=1S/C27H46O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t19-,21+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey	OJUSVVMRDIXPCC-QGCYDVEPSA-N
Molecular Weight	402.663 g/mol
SMILES	O[C@@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](CO)(CCCC(C)C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH	splash10-01q9-0069100000-d774e3d3edb88a99b486
Source of Spectrum	F-41-6046-5
Wiley ID	1370687