(3S,5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

SpectraBase Compound ID	2ECIYKM3vCG
InChI	InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKey	UROPIWALBBMYRP-NXHCPLBVSA-N Google Search
Mol Weight	420.7 g/mol
Molecular Formula	C27H48O3
Exact Mass	420.360345 g/mol

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SpectraBase Spectrum ID	3nRvKeUVaYF
Name	(3S,5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H48O3
InChI	InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKey	UROPIWALBBMYRP-NXHCPLBVSA-N
Molecular Weight	420.678 g/mol
SMILES	OC(CCC[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CC[C@@](C[C@@]4(C[C@]3(O)[H])[H])(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(C)C
SPLASH	splash10-0fl1-0097300000-787b20b32c20de128274
Source of Spectrum	K1-0-3703-34
Synonyms	(3S,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (3S,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-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]phenanthrene-3,7-diol
Wiley ID	1589252