John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9DvNzy6sOpi SpectraBase Spectrum ID=1JSb0OQ9VUQ

(accessed ).
5-ALPHA-SPIROST-25(27)-ENE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID 9DvNzy6sOpi
InChI InChI=1S/C43H68O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h19-40,44-51H,1,6-17H2,2-5H3/t19-,20+,21-,22-,23?,24?,25?,26+,27-,28?,29+,30?,31+,32-,33-,34+,35-,36+,37-,38-,39+,40+,41-,42-,43+/m0/s1
InChIKey IDZBMUUPWZKADU-PLZSFDBCSA-N
Mol Weight 841.0 g/mol
Molecular Formula C43H68O16
Exact Mass 840.450737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JSb0OQ9VUQ
Name 5-ALPHA-SPIROST-25(27)-ENE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-XYLOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H68O16
InChI InChI=1S/C43H68O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h19-40,44-51H,1,6-17H2,2-5H3/t19-,20+,21-,22-,23?,24?,25?,26+,27-,28?,29+,30?,31+,32-,33-,34+,35-,36+,37-,38-,39+,40+,41-,42-,43+/m0/s1
InChIKey IDZBMUUPWZKADU-PLZSFDBCSA-N
Literature Reference Author Y.MIMAKI,M.KURODA,Y.TAKAASHI,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,47,79(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00545-1
Molecular Weight 841.003 g/mol
Solvent C5D5N
Source File Reference UWSI4851
SpectraBase Batch ID CnNUiNXIN6Q