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12-O-NICOTINOYLLINEOLON-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMARO
SpectraBase Compound ID HURZfqawbP7
InChI InChI=1S/C59H89NO23/c1-27(62)35-14-17-59(70)57(35,7)42(79-54(68)32-11-10-18-60-25-32)24-41-56(6)15-13-34(19-33(56)12-16-58(41,59)69)77-45-22-38(71-8)52(30(4)75-45)82-44-21-37(64)50(28(2)74-44)80-43-20-36(63)51(29(3)73-43)81-46-23-39(72-9)53(31(5)76-46)83-55-49(67)48(66)47(65)40(26-61)78-55/h10-12,18,25,28-31,34-53,55,61,63-67,69-70H,13-17,19-24,26H2,1-9H3/t28-,29-,30+,31-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,49+,50-,51-,52+,53-,55-,56-,57-,58-,59+/m0/s1
InChIKey IQDIAXAEBOLMKZ-JUCWVXJOSA-N
Mol Weight 1180.3 g/mol
Molecular Formula C59H89NO23
Exact Mass 1179.582538 g/mol
Enantiomer InChIKey IQDIAXAEBOLMKZ-NMXIYZKESA-N
Copyright Copyright © 2016-2024 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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