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SCUTEREPENOSIDE-A1;(4R,13S*,16S*)-1-BETA-TRANS-CINNAMOYLOXY-6-ALPHA-(BETA-D-GLUCOPYRANOSYLOXY)-16-METHOXY-15,16-EPOXY-18-NEOCLERODANAL
SpectraBase Compound ID AFxHlDYgokv
InChI InChI=1S/C36H52O11/c1-21-18-27(47-34-31(42)30(41)29(40)26(20-38)46-34)36(3)24(19-37)11-12-25(45-28(39)13-10-22-8-6-5-7-9-22)32(36)35(21,2)16-14-23-15-17-44-33(23)43-4/h5-10,13,19,21,23-27,29-34,38,40-42H,11-12,14-18,20H2,1-4H3/b13-10+/t21-,23+,24+,25-,26+,27+,29+,30-,31+,32-,33+,34-,35+,36-/m1/s1
InChIKey FECCSPZIEUDRSR-QGSUMTICSA-N
Mol Weight 660.8 g/mol
Molecular Formula C36H52O11
Exact Mass 660.350962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoDwDOjQR3R
Name SCUTEREPENOSIDE-A1;(4R,13S*,16S*)-1-BETA-TRANS-CINNAMOYLOXY-6-ALPHA-(BETA-D-GLUCOPYRANOSYLOXY)-16-METHOXY-15,16-EPOXY-18-NEOCLERODANAL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H52O11
InChI InChI=1S/C36H52O11/c1-21-18-27(47-34-31(42)30(41)29(40)26(20-38)46-34)36(3)24(19-37)11-12-25(45-28(39)13-10-22-8-6-5-7-9-22)32(36)35(21,2)16-14-23-15-17-44-33(23)43-4/h5-10,13,19,21,23-27,29-34,38,40-42H,11-12,14-18,20H2,1-4H3/b13-10+/t21-,23+,24+,25-,26+,27+,29+,30-,31+,32-,33+,34-,35+,36-/m1/s1
InChIKey FECCSPZIEUDRSR-QGSUMTICSA-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 660.802 g/mol
Solvent C5D5N
Source File Reference UWMS6505