(2S)-2-[[2-[(4R)-4-[(3S,4S,5S,9R,10S,13R,17R)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-methyl-pentyl]acryloyl]amino]-2-(4-methoxyphenyl)acetic acid methyl ester

SpectraBase Compound ID	BhgHM9V0SLW
InChI	InChI=1S/C39H57NO5/c1-23(25(3)36(42)40-35(37(43)45-8)27-11-13-28(44-7)14-12-27)9-10-24(2)30-17-18-32-29-15-16-31-26(4)34(41)20-22-39(31,6)33(29)19-21-38(30,32)5/h11-14,23-24,26,30-31,33-35,41H,3,9-10,15-22H2,1-2,4-8H3,(H,40,42)/t23?,24-,26+,30-,31+,33+,34+,35+,38-,39+/m1/s1
InChIKey	KPUPDWKBKQQKDA-MYDGGORESA-N Google Search
Mol Weight	619.9 g/mol
Molecular Formula	C39H57NO5
Exact Mass	619.423674 g/mol

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SpectraBase Spectrum ID	KMHHjfmYa7L
Name	(2S)-2-[[2-[(4R)-4-[(3S,4S,5S,9R,10S,13R,17R)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-methyl-pentyl]acryloyl]amino]-2-(4-methoxyphenyl)acetic acid methyl ester
Compound Number	7
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C39H57NO5
InChI	InChI=1S/C39H57NO5/c1-23(25(3)36(42)40-35(37(43)45-8)27-11-13-28(44-7)14-12-27)9-10-24(2)30-17-18-32-29-15-16-31-26(4)34(41)20-22-39(31,6)33(29)19-21-38(30,32)5/h11-14,23-24,26,30-31,33-35,41H,3,9-10,15-22H2,1-2,4-8H3,(H,40,42)/t23?,24-,26+,30-,31+,33+,34+,35+,38-,39+/m1/s1
InChIKey	KPUPDWKBKQQKDA-MYDGGORESA-N
Literature Reference Author	F.KONG,R.J.ANDERSEN
Literature Reference Citation	J.NAT.PROD.,59,379(1996)
Literature Reference DOI	10.1021/np960098o
Molecular Weight	619.885 g/mol
Solvent	CDCl3
Source File Reference	UWVP2411