For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
SCABIOSAPONIN-A;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYLOLEANOLIC-ACID-2
SpectraBase Compound ID 49wUAcqlXWG
InChI InChI=1S/C64H104O30/c1-25-36(68)50(92-53-45(77)41(73)32(24-85-53)89-54-47(79)43(75)39(71)30(21-66)88-54)49(81)56(86-25)93-51-37(69)28(67)22-83-57(51)91-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-55-48(80)44(76)40(72)31(90-55)23-84-52-46(78)42(74)38(70)29(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,27-,28-,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-,55-,56-,57-,61-,62+,63+,64-/m0/s1
InChIKey JDUQDAUPICIAJC-UIQVOVJYSA-N
Mol Weight 1353.5 g/mol
Molecular Formula C64H104O30
Exact Mass 1352.661242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DohRi76Z3Tn
Name SCABIOSAPONIN-A;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYLOLEANOLIC-ACID-2
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O30
InChI InChI=1S/C64H104O30/c1-25-36(68)50(92-53-45(77)41(73)32(24-85-53)89-54-47(79)43(75)39(71)30(21-66)88-54)49(81)56(86-25)93-51-37(69)28(67)22-83-57(51)91-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-55-48(80)44(76)40(72)31(90-55)23-84-52-46(78)42(74)38(70)29(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,27-,28-,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-,55-,56-,57-,61-,62+,63+,64-/m0/s1
InChIKey JDUQDAUPICIAJC-UIQVOVJYSA-N
Literature Reference Author Q.ZHENG,K.KOIKE,L.K.HAN,H.OKUDA,T.NIKAIDO
Literature Reference Citation J.NAT.PROD.,67,604(2004)
Literature Reference DOI 10.1021/np0304722
Molecular Weight 1353.512 g/mol
Solvent C5D5N
Source File Reference UWMZ7423