(1S,3R,9S,10R,13R,14R,17R)-17-[(1S,2S)-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	flet9Y2qvM
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-/m0/s1
InChIKey	DWLAZIMLPNMEOD-RSPQSJQRSA-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	1v23H2YdZw
Name	(1S,3R,9S,10R,13R,14R,17R)-17-[(1S,2S)-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
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-/m0/s1
InChIKey	DWLAZIMLPNMEOD-RSPQSJQRSA-N
Molecular Weight	430.673 g/mol
SMILES	OC(CC[C@@]([C@@]([C@]1(CC[C@]2(C3=CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])(C)[H])(C)[H])(C)C
SPLASH	splash10-0092-0194200000-9c28626315c51f6bde86
Source of Spectrum	E1-39-2735-25
Synonyms	(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3S)-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-[(2S,3S)-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
Wiley ID	1598886