(5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

SpectraBase Compound ID	JOOdl7YRFYa
InChI	InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)20-10-11-21-19-15-24(29)23-9-7-8-13-27(23,5)22(19)12-14-28(20,21)6/h7-8,16-23,25-26,30-31H,9-15H2,1-6H3/t17-,18+,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
InChIKey	MJVCJGGOYKSADY-OKGIPSMLSA-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	F0FuX98dfMg
Name	(5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O3
InChI	InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)20-10-11-21-19-15-24(29)23-9-7-8-13-27(23,5)22(19)12-14-28(20,21)6/h7-8,16-23,25-26,30-31H,9-15H2,1-6H3/t17-,18+,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
InChIKey	MJVCJGGOYKSADY-OKGIPSMLSA-N
Molecular Weight	430.673 g/mol
SMILES	O[C@@]([C@@]([C@]([C@@]1([C@@]2([C@]([C@@]3(CC(=O)[C@@]4([C@@]([C@]3(CC2)[H])(CC=CC4)C)[H])[H])(CC1)[H])C)[H])(C)[H])(O)[H])([C@@](C(C)C)(C)[H])[H]
SPLASH	splash10-001i-0009300000-162b18b569e79b0ea0b3
Source of Spectrum	KC-0-1497-5
Synonyms	(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one (5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Wiley ID	783967