John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LLizqBI7uUo SpectraBase Spectrum ID=2vn9muyfLBY

(accessed ).
NEOCHLOROGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE];(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-6-ALPHA-O-[BETA-D-XYLOPYRANOSYL-(1->3)
SpectraBase Compound ID LLizqBI7uUo
InChI InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19+,20+,21?,22?,23?,24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-/m1/s1
InChIKey SZRYARBVBSFVQW-JDGLFYJSSA-N
Mol Weight 710.9 g/mol
Molecular Formula C38H62O12
Exact Mass 710.424128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vn9muyfLBY
Name NEOCHLOROGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE];(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-6-ALPHA-O-[BETA-D-XYLOPYRANOSYL-(1->3)
Compound Number 2A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H62O12
InChI InChI=1S/C38H62O12/c1-17-6-11-38(46-15-17)18(2)28-27(50-38)14-23-21-13-26(24-12-20(39)7-9-36(24,4)22(21)8-10-37(23,28)5)48-35-32(44)33(29(41)19(3)47-35)49-34-31(43)30(42)25(40)16-45-34/h17-35,39-44H,6-16H2,1-5H3/t17-,18+,19+,20+,21?,22?,23?,24-,25+,26+,27?,28?,29+,30-,31+,32+,33-,34-,35-,36-,37+,38-/m1/s1
InChIKey SZRYARBVBSFVQW-JDGLFYJSSA-N
Literature Reference Author S.YAHARA,T.YAMASHITA,N.NOZAWA,T.NOHARA
Literature Reference Citation PHYTOCHEM.,43,1069(1996)
Literature Reference DOI 10.1016/S0031-9422(96)00396-2
Molecular Weight 710.903 g/mol
Solvent C5D5N
Source File Reference UWMS2305
SpectraBase Batch ID 1d3g2Glt6eA