3-methylbutyric acid [(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(3S,5R,6R)-6-(1,2-dihydroxy-1-methyl-ethyl)-5-hydroxy-tetrahydropyran-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester

SpectraBase Compound ID	9T1Qoru1S9z
InChI	InChI=1S/C35H58O7/c1-20(2)15-29(39)42-28-12-14-33(6)25-11-13-32(5)22(21-16-23(37)30(41-18-21)34(7,40)19-36)9-10-24(32)35(25,8)27(38)17-26(33)31(28,3)4/h10,20-23,25-28,30,36-38,40H,9,11-19H2,1-8H3/t21-,22+,23-,25-,26+,27-,28-,30-,32+,33-,34?,35+/m1/s1
InChIKey	FFRICCBARMAYIH-NJESKMAPSA-N Google Search
Mol Weight	590.8 g/mol
Molecular Formula	C35H58O7
Exact Mass	590.418254 g/mol

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SpectraBase Spectrum ID	GVGtmjTkBVz
Name	3-methylbutyric acid [(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(3S,5R,6R)-6-(1,2-dihydroxy-1-methyl-ethyl)-5-hydroxy-tetrahydropyran-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
Compound Number	6
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C35H58O7
InChI	InChI=1S/C35H58O7/c1-20(2)15-29(39)42-28-12-14-33(6)25-11-13-32(5)22(21-16-23(37)30(41-18-21)34(7,40)19-36)9-10-24(32)35(25,8)27(38)17-26(33)31(28,3)4/h10,20-23,25-28,30,36-38,40H,9,11-19H2,1-8H3/t21-,22+,23-,25-,26+,27-,28-,30-,32+,33-,34?,35+/m1/s1
InChIKey	FFRICCBARMAYIH-NJESKMAPSA-N
Literature Reference Author	K.MITSUI,H.SAITO,R.YAMAMURA,H.FUKAYA,Y.HITOTSUYANAGI,K.TAKEY A
Literature Reference Citation	CHEM.PHARM.BULL.,55,1442(2007)
Literature Reference DOI	10.1248/cpb.55.1442
Molecular Weight	590.841 g/mol
Sample ID	33458
Solvent	CDCl3