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(3S,5R,7R,9R,10S,13R,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-diol

View entire compound with spectra: 1 NMR

(3S,5R,7R,9R,10S,13R,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-diol
SpectraBase Compound ID El0PUz9NfH9
InChI InChI=1S/C29H48O2/c1-17(2)18(3)8-9-19(4)21-10-11-22-27-23(12-14-28(21,22)6)29(7)15-13-25(30)20(5)24(29)16-26(27)31/h17-19,21,23-26,30-31H,5,8-16H2,1-4,6-7H3/t18-,19-,21-,23+,24+,25+,26-,28-,29-/m1/s1
InChIKey IXFWZPANSJAULJ-SSMOMYRFSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fVFbEz4nCF
Name (3S,5R,7R,9R,10S,13R,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-diol
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-17(2)18(3)8-9-19(4)21-10-11-22-27-23(12-14-28(21,22)6)29(7)15-13-25(30)20(5)24(29)16-26(27)31/h17-19,21,23-26,30-31H,5,8-16H2,1-4,6-7H3/t18-,19-,21-,23+,24+,25+,26-,28-,29-/m1/s1
InChIKey IXFWZPANSJAULJ-SSMOMYRFSA-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 428.699 g/mol
Source File Reference UWLU73899