(4R)-4-[(4R,5R,8S,9S,10R,13R,14S,17R)-3-keto-4,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester

SpectraBase Compound ID	9md4PIeaWEV
InChI	InChI=1S/C26H40O3/c1-16(6-11-24(28)29-5)19-9-10-21-18-7-8-20-17(2)23(27)13-15-26(20,4)22(18)12-14-25(19,21)3/h13,15-22H,6-12,14H2,1-5H3/t16-,17-,18+,19-,20-,21+,22+,25-,26+/m1/s1
InChIKey	USHBOXMPBROXDE-RSQSJCNASA-N Google Search
Mol Weight	400.6 g/mol
Molecular Formula	C26H40O3
Exact Mass	400.297745 g/mol

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SpectraBase Spectrum ID	3fsT6bqvFLJ
Name	(4R)-4-[(4R,5R,8S,9S,10R,13R,14S,17R)-3-keto-4,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
CAS Registry Number	115540-18-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H40O3
InChI	InChI=1S/C26H40O3/c1-16(6-11-24(28)29-5)19-9-10-21-18-7-8-20-17(2)23(27)13-15-26(20,4)22(18)12-14-25(19,21)3/h13,15-22H,6-12,14H2,1-5H3/t16-,17-,18+,19-,20-,21+,22+,25-,26+/m1/s1
InChIKey	USHBOXMPBROXDE-RSQSJCNASA-N
Molecular Weight	400.603 g/mol
SMILES	[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCC(=O)OC)(C)[H])[H])[H])([H])CC[C@@]2([C@@](C)(C(C=C1)=O)[H])[H])[H])C
SPLASH	splash10-0fk9-0911600000-abaf363b3c324c11fef0
Source of Spectrum	F-43-4156-11
Synonyms	(4R)-4-[(4R,5R,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(4R,5R,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(4R,5R,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID	1369643