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SCUTEREPENIN-B;(4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-2-ALPHA,4,6-ALPHA,13,18-PENTAHYDROXY-11,16:15,16-DIEPOXY-1-NEOCLERODANONE

View entire compound with spectra: 1 NMR

SCUTEREPENIN-B;(4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-2-ALPHA,4,6-ALPHA,13,18-PENTAHYDROXY-11,16:15,16-DIEPOXY-1-NEOCLERODANONE
SpectraBase Compound ID 9zlfSxMPrKd
InChI InChI=1S/C29H38O10/c1-16-22(39-20(32)10-9-17-7-5-4-6-8-17)24(34)27(3)23(21(33)18(31)13-29(27,36)15-30)26(16,2)19-14-28(35)11-12-37-25(28)38-19/h4-10,16,18-19,22-25,30-31,34-36H,11-15H2,1-3H3/b10-9+/t16-,18+,19+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
InChIKey ARHYTIGRXUYMMP-IHUTYRIWSA-N
Mol Weight 546.6 g/mol
Molecular Formula C29H38O10
Exact Mass 546.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KrfJs1znqd
Name SCUTEREPENIN-B;(4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-2-ALPHA,4,6-ALPHA,13,18-PENTAHYDROXY-11,16:15,16-DIEPOXY-1-NEOCLERODANONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O10
InChI InChI=1S/C29H38O10/c1-16-22(39-20(32)10-9-17-7-5-4-6-8-17)24(34)27(3)23(21(33)18(31)13-29(27,36)15-30)26(16,2)19-14-28(35)11-12-37-25(28)38-19/h4-10,16,18-19,22-25,30-31,34-36H,11-15H2,1-3H3/b10-9+/t16-,18+,19+,22-,23-,24+,25+,26-,27+,28+,29+/m1/s1
InChIKey ARHYTIGRXUYMMP-IHUTYRIWSA-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 546.615 g/mol
Solvent C5D5N
Source File Reference UWMS6491