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(3S,5R,7R,9R,10S,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7,15-triol

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(3S,5R,7R,9R,10S,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7,15-triol
SpectraBase Compound ID Ls33qWROjYs
InChI InChI=1S/C29H48O3/c1-16(2)17(3)8-9-18(4)21-14-25(32)27-26-20(10-12-29(21,27)7)28(6)13-11-23(30)19(5)22(28)15-24(26)31/h16-18,20-25,30-32H,5,8-15H2,1-4,6-7H3/t17-,18-,20+,21-,22+,23+,24-,25+,28-,29-/m1/s1
InChIKey JHQYKZFATHVGSL-FWOMDNRWSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jqg6ey4SSC
Name (3S,5R,7R,9R,10S,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7,15-triol
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-16(2)17(3)8-9-18(4)21-14-25(32)27-26-20(10-12-29(21,27)7)28(6)13-11-23(30)19(5)22(28)15-24(26)31/h16-18,20-25,30-32H,5,8-15H2,1-4,6-7H3/t17-,18-,20+,21-,22+,23+,24-,25+,28-,29-/m1/s1
InChIKey JHQYKZFATHVGSL-FWOMDNRWSA-N
Literature Reference Author Y.SUGO,Y.INOUYE,N.NAKAYAMA
Literature Reference Citation STEROIDS,60,738(1995)
Literature Reference DOI 10.1016/0039-128x(95)00108-3
Molecular Weight 444.698 g/mol
Source File Reference UWLU73903