3-methylbut-2-enoic acid [(3R,5R,7R,8R,9R,10S,13S,17S)-7-hydroxy-17-[(3S,5R,6R)-5-hydroxy-6-(1-hydroxy-1-methyl-ethyl)tetrahydropyran-3-yl]-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	G1Nd9rtz3Y1
InChI	InChI=1S/C35H56O6/c1-20(2)16-29(38)41-28-13-15-34(8)25-12-14-33(7)22(21-17-23(36)30(40-19-21)32(5,6)39)10-11-24(33)35(25,9)27(37)18-26(34)31(28,3)4/h11,16,21-23,25-28,30,36-37,39H,10,12-15,17-19H2,1-9H3/t21-,22+,23-,25-,26+,27-,28-,30-,33+,34-,35+/m1/s1
InChIKey	SUMSMGMHAXRNEQ-CJWUIFORSA-N Google Search
Mol Weight	572.8 g/mol
Molecular Formula	C35H56O6
Exact Mass	572.40769 g/mol

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SpectraBase Spectrum ID	1ArcjYNXG11
Name	3-methylbut-2-enoic acid [(3R,5R,7R,8R,9R,10S,13S,17S)-7-hydroxy-17-[(3S,5R,6R)-5-hydroxy-6-(1-hydroxy-1-methyl-ethyl)tetrahydropyran-3-yl]-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	5
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C35H56O6
InChI	InChI=1S/C35H56O6/c1-20(2)16-29(38)41-28-13-15-34(8)25-12-14-33(7)22(21-17-23(36)30(40-19-21)32(5,6)39)10-11-24(33)35(25,9)27(37)18-26(34)31(28,3)4/h11,16,21-23,25-28,30,36-37,39H,10,12-15,17-19H2,1-9H3/t21-,22+,23-,25-,26+,27-,28-,30-,33+,34-,35+/m1/s1
InChIKey	SUMSMGMHAXRNEQ-CJWUIFORSA-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	572.826 g/mol
Sample ID	33457
Solvent	CDCl3