(1S,3R,9S,10R,13R,14R,17R)-17-[(1R,2R)-5-hydroxy-1,2,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

SpectraBase Compound ID	GCeFq5JJ5QO
InChI	InChI=1S/C28H46O3/c1-17(11-13-26(3,4)31)18(2)22-9-10-23-21-8-7-19-15-20(29)16-25(30)28(19,6)24(21)12-14-27(22,23)5/h7-8,17-18,20,22-25,29-31H,9-16H2,1-6H3/t17-,18-,20-,22-,23+,24+,25+,27-,28+/m1/s1
InChIKey	DWLAZIMLPNMEOD-MLOYFZJISA-N Google Search
Mol Weight	430.7 g/mol
Molecular Formula	C28H46O3
Exact Mass	430.344695 g/mol

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SpectraBase Spectrum ID	3SNIsrijjL1
Name	(1S,3R,9S,10R,13R,14R,17R)-17-[(1R,2R)-5-hydroxy-1,2,5-trimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Alternate Name(s)	(1S,3R,9S,10R,13R,14R,17R)-17-[(2R,3R)-3,6-dimethyl-6-oxidanyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol (1S,3R,9S,10R,13R,14R,17R)-17-[(2R,3R)-6-hydroxy-3,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O3
InChI	InChI=1S/C28H46O3/c1-17(11-13-26(3,4)31)18(2)22-9-10-23-21-8-7-19-15-20(29)16-25(30)28(19,6)24(21)12-14-27(22,23)5/h7-8,17-18,20,22-25,29-31H,9-16H2,1-6H3/t17-,18-,20-,22-,23+,24+,25+,27-,28+/m1/s1
InChIKey	DWLAZIMLPNMEOD-MLOYFZJISA-N
Molecular Weight	430.673 g/mol
SMILES	O[C@]1(C[C@@]([C@@]2([C@@]3(C([C@]4([C@@]([C@@]([C@@]([C@@](CCC(O)(C)C)(C)[H])(C)[H])(CC4)[H])(CC3)C)[H])=CC=C2C1)[H])C)(O)[H])[H]
SPLASH	splash10-0a4i-9310100000-b770505044451c6bb446
Source of Spectrum	J-58-2537-20
Wiley ID	1381784