(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	8QtrwmF1wtC
InChI	InChI=1S/C27H48O2/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/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey	IHBYNELXVANGNE-WPAFHKMSSA-N Google Search
Mol Weight	404.7 g/mol
Molecular Formula	C27H48O2
Exact Mass	404.365431 g/mol

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SpectraBase Spectrum ID	4GvZt2cRZxE
Name	(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H48O2
InChI	InChI=1S/C27H48O2/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/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey	IHBYNELXVANGNE-WPAFHKMSSA-N
Molecular Weight	404.679 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)[H])C)[H]
SPLASH	splash10-0gj0-0094200000-f4ae6ddf7fef00b30013
Source of Spectrum	F-41-6046-4
Synonyms	(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-1-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5S,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-(hydroxymethyl)-5-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5S,8R,9S,10S,13S,14S,17R)-17-[(2R)-1-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID	1371583