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(5R,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 NMR

(5R,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID JSFykC2WJvn
InChI InChI=1S/C31H50O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,21-23,25-26H,1,10-14,16-19H2,2-9H3/t21-,22+,23+,25+,26-,29+,30+,31-/m0/s1
InChIKey FIBGAYXHSCIKKR-QIAQEWGPSA-N
Mol Weight 438.7 g/mol
Molecular Formula C31H50O
Exact Mass 438.386166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQSEFQbkxRH
Name (5R,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O
InChI InChI=1S/C31H50O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,21-23,25-26H,1,10-14,16-19H2,2-9H3/t21-,22+,23+,25+,26-,29+,30+,31-/m0/s1
InChIKey FIBGAYXHSCIKKR-QIAQEWGPSA-N
Literature Reference Author P.L.MAJUMDER,S.MAJUMDER,S.SEN
Literature Reference Citation PHYTOCHEM.,62,591(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00487-9
Molecular Weight 438.737 g/mol
Solvent CDCl3
Source File Reference UWVN26870