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(4R,7R,11S,13R)-7,15-DIACETOXY-6-ALPHA-O-TRANS-CINNAMOYL-1,16:4,18:11,16-TRIEPOXY-NEOCLERODANE

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(4R,7R,11S,13R)-7,15-DIACETOXY-6-ALPHA-O-TRANS-CINNAMOYL-1,16:4,18:11,16-TRIEPOXY-NEOCLERODANE
SpectraBase Compound ID IoSc1jghfYe
InChI InChI=1S/C33H42O9/c1-19-27(39-21(3)35)29(42-26(36)12-11-22-9-7-6-8-10-22)32(5)28-24(13-15-33(32)18-38-33)40-30-23(14-16-37-20(2)34)17-25(41-30)31(19,28)4/h6-12,19,23-25,27-30H,13-18H2,1-5H3/b12-11+/t19-,23-,24-,25+,27-,28-,29-,30-,31-,32+,33+/m1/s1
InChIKey VOEJHVHPGKNFRH-PNYIIZSLSA-N
Mol Weight 582.7 g/mol
Molecular Formula C33H42O9
Exact Mass 582.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cxr9LskOyh7
Name (4R,7R,11S,13R)-7,15-DIACETOXY-6-ALPHA-O-TRANS-CINNAMOYL-1,16:4,18:11,16-TRIEPOXY-NEOCLERODANE
Compound Number 1 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O9
InChI InChI=1S/C33H42O9/c1-19-27(39-21(3)35)29(42-26(36)12-11-22-9-7-6-8-10-22)32(5)28-24(13-15-33(32)18-38-33)40-30-23(14-16-37-20(2)34)17-25(41-30)31(19,28)4/h6-12,19,23-25,27-30H,13-18H2,1-5H3/b12-11+/t19-,23-,24-,25+,27-,28-,29-,30-,31-,32+,33+/m1/s1
InChIKey VOEJHVHPGKNFRH-PNYIIZSLSA-N
Literature Reference Author H.KIZU,N.SUGITA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,46,988(1998)
Literature Reference DOI 10.1248/cpb.46.988
Molecular Weight 582.691 g/mol
Solvent C5D5N
Source File Reference UWMS6503