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(4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-6-ALPHA,13-DIHYDROXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE

View entire compound with spectra: 1 NMR

(4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-6-ALPHA,13-DIHYDROXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE
SpectraBase Compound ID DMIK8G492pv
InChI InChI=1S/C29H36O8/c1-17-22(37-21(31)10-9-18-7-5-4-6-8-18)24(32)27(3)23(19(30)11-12-29(27)16-35-29)26(17,2)20-15-28(33)13-14-34-25(28)36-20/h4-10,17,20,22-25,32-33H,11-16H2,1-3H3/b10-9+/t17-,20+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
InChIKey YKUHAAYSNIFPRW-SJLASXSNSA-N
Mol Weight 512.6 g/mol
Molecular Formula C29H36O8
Exact Mass 512.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Js1a0VkcqBt
Name (4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-6-ALPHA,13-DIHYDROXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O8
InChI InChI=1S/C29H36O8/c1-17-22(37-21(31)10-9-18-7-5-4-6-8-18)24(32)27(3)23(19(30)11-12-29(27)16-35-29)26(17,2)20-15-28(33)13-14-34-25(28)36-20/h4-10,17,20,22-25,32-33H,11-16H2,1-3H3/b10-9+/t17-,20+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
InChIKey YKUHAAYSNIFPRW-SJLASXSNSA-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 512.600 g/mol
Solvent C5D5N
Source File Reference UWMS6487