(4R)-2-hydroxy-4-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester

SpectraBase Compound ID	IyLkLtSv1iW
InChI	InChI=1S/C25H36O4/c1-15(13-22(27)23(28)29-4)19-7-8-20-18-6-5-16-14-17(26)9-11-24(16,2)21(18)10-12-25(19,20)3/h5-6,14-15,18-22,27H,7-13H2,1-4H3/t15-,18+,19-,20+,21+,22?,24+,25-/m1/s1
InChIKey	FNQSYMDQYWWANP-CXMIHNHBSA-N Google Search
Mol Weight	400.6 g/mol
Molecular Formula	C25H36O4
Exact Mass	400.26136 g/mol

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SpectraBase Spectrum ID	IBRWZMJt1lp
Name	(4R)-2-hydroxy-4-[(8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
Alternate Name(s)	(4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid methyl ester Methyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-pentanoate Methyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-pentanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H36O4
InChI	InChI=1S/C25H36O4/c1-15(13-22(27)23(28)29-4)19-7-8-20-18-6-5-16-14-17(26)9-11-24(16,2)21(18)10-12-25(19,20)3/h5-6,14-15,18-22,27H,7-13H2,1-4H3/t15-,18+,19-,20+,21+,22?,24+,25-/m1/s1
InChIKey	FNQSYMDQYWWANP-CXMIHNHBSA-N
Molecular Weight	400.559 g/mol
SMILES	OC(C(=O)OC)C[C@]([C@@]1([C@@]2([C@]([C@@]3(C=CC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC1)[H])C)[H])(C)[H]
SPLASH	splash10-0v09-5941600000-426079dfaa10277ae913
Source of Spectrum	H-79-987-3
Wiley ID	1369597