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[(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2-methylaminobenzoate

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[(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2-methylaminobenzoate
SpectraBase Compound ID KzaloW6sTMt
InChI InChI=1S/C31H43NO8/c1-18(39-26(35)22-8-6-7-9-23(22)32-5)29(36)14-15-31(38)28(29,4)25(40-19(2)33)17-24-27(3)12-11-21(34)16-20(27)10-13-30(24,31)37/h6-10,18,21,24-25,32,34,36-38H,11-17H2,1-5H3/t18-,21-,24+,25+,27-,28+,29+,30-,31+/m0/s1
InChIKey CZDULTZQSINAPF-LNPPMGONSA-N
Mol Weight 557.7 g/mol
Molecular Formula C31H43NO8
Exact Mass 557.298867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dkNelHdVBK
Name [(1S)-1-[(3S,8S,9R,10R,12R,13R,14R,17S)-12-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] 2-methylaminobenzoate
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H43NO8
InChI InChI=1S/C31H43NO8/c1-18(39-26(35)22-8-6-7-9-23(22)32-5)29(36)14-15-31(38)28(29,4)25(40-19(2)33)17-24-27(3)12-11-21(34)16-20(27)10-13-30(24,31)37/h6-10,18,21,24-25,32,34,36-38H,11-17H2,1-5H3/t18-,21-,24+,25+,27-,28+,29+,30-,31+/m0/s1
InChIKey CZDULTZQSINAPF-LNPPMGONSA-N
Literature Reference Author K.YOSHIKAWA,N.OKADA,Y.KANN,S.ARIHARA
Literature Reference Citation CHEM.PHARM.BULL.,44,1790(1996)
Literature Reference DOI 10.1248/cpb.44.1790
Molecular Weight 557.684 g/mol
Solvent C5D5N
Source File Reference UWMZ19576