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(6R)-6-[(5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-3,11,15-triketo-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-keto-2-methyl-enanthic acid methyl ester
SpectraBase Compound ID 8al25wBOtsQ
InChI InChI=1S/C31H44O8/c1-15(11-17(32)12-16(2)27(38)39-8)18-13-22(35)31(7)23-19(33)14-20-28(3,4)21(34)9-10-29(20,5)24(23)25(36)26(37)30(18,31)6/h15-16,18-20,26,33,37H,9-14H2,1-8H3/t15-,16?,18-,19+,20+,26-,29+,30+,31+/m1/s1
InChIKey DMGHVFKVXXJZON-STKCNINLSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H44O8
Exact Mass 544.303618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrNpY5frVXb
Name (6R)-6-[(5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-3,11,15-triketo-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-keto-2-methyl-enanthic acid methyl ester
Compound Number C5;104
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44O8
InChI InChI=1S/C31H44O8/c1-15(11-17(32)12-16(2)27(38)39-8)18-13-22(35)31(7)23-19(33)14-20-28(3,4)21(34)9-10-29(20,5)24(23)25(36)26(37)30(18,31)6/h15-16,18-20,26,33,37H,9-14H2,1-8H3/t15-,16?,18-,19+,20+,26-,29+,30+,31+/m1/s1
InChIKey DMGHVFKVXXJZON-STKCNINLSA-N
Literature Reference Author Q.XIA,H.ZHANG,X.SUN,H.ZHAO,L.WU,D.ZHU,G.YANG,Y.SHAO,X.ZHANG, X.MAO,L.ZHANG,G.SHE
Literature Reference Citation MOLECULES,19,17478(2014)
Literature Reference DOI 10.3390/molecules191117478
Molecular Weight 544.686 g/mol
Solvent CDCl3
Source File Reference UWLU81786