John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1I5ValnzvAe

(accessed ).
PREGNANE-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]
SpectraBase Compound ID 1I5ValnzvAe
InChI InChI=1S/C54H88O23/c1-23(56)30-16-38(59)54(64)52(30,7)37(58)21-36-51(6)13-12-29(15-28(51)11-14-53(36,54)63)72-40-18-32(65-8)48(25(3)69-40)76-42-19-33(66-9)47(26(4)70-42)75-39-17-31(57)46(24(2)68-39)74-41-20-34(67-10)49(27(5)71-41)77-50-45(62)44(61)43(60)35(22-55)73-50/h11,24-27,29-50,55,57-64H,12-22H2,1-10H3/t24-,25+,26-,27-,29-,30-,31+,32-,33+,34-,35+,36+,37+,38+,39?,40-,41+,42+,43+,44-,45+,46-,47-,48+,49-,50?,51-,52-,53-,54+/m0/s1
InChIKey KKWOREYFVDXKAN-QQUSQBFZSA-N
Mol Weight 1105.3 g/mol
Molecular Formula C54H88O23
Exact Mass 1104.57164 g/mol
Enantiomer InChIKey KKWOREYFVDXKAN-WIEDJBDZSA-N
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Steroidal glycosides from the aerial part of Asclepias incarnata Phytochemistry 2000
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