2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid

SpectraBase Compound ID	FSr6Jy7X3uV
InChI	InChI=1S/C29H50O4/c1-18(2)7-6-8-19(3)22-9-10-23-21-11-14-29(33)17-25(30)20(15-26(31)32)16-28(29,5)24(21)12-13-27(22,23)4/h18-25,30,33H,6-17H2,1-5H3,(H,31,32)/t19-,20+,21+,22-,23+,24+,25+,27-,28-,29-/m1/s1
InChIKey	KTLTVJCHOOHBMQ-CTVRLNGYSA-N Google Search
Mol Weight	462.7 g/mol
Molecular Formula	C29H50O4
Exact Mass	462.37091 g/mol

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SpectraBase Spectrum ID	L6CnT51aV9v
Name	2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H50O4
InChI	InChI=1S/C29H50O4/c1-18(2)7-6-8-19(3)22-9-10-23-21-11-14-29(33)17-25(30)20(15-26(31)32)16-28(29,5)24(21)12-13-27(22,23)4/h18-25,30,33H,6-17H2,1-5H3,(H,31,32)/t19-,20+,21+,22-,23+,24+,25+,27-,28-,29-/m1/s1
InChIKey	KTLTVJCHOOHBMQ-CTVRLNGYSA-N
Molecular Weight	462.715 g/mol
SMILES	OC(C[C@]1(C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(C[C@@]1(O)[H])O)C)[H])=O
SPLASH	splash10-01t9-0000900000-4d7988c42b5230bd5729
Source of Spectrum	J-59-4398-16
Synonyms	2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]acetic acid 2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]acetic acid
Wiley ID	1391184