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3-BETA-O-[BETA-D-QUINOVOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-OLEAN-12-ENE-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-B
SpectraBase Compound ID 9LF00kkl2xZ
InChI InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,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-,56+,57-,58-,59+/m1/s1
InChIKey NVSLBOBPSCMMSO-ZIBVVDAVSA-N
Mol Weight 1205.4 g/mol
Molecular Formula C59H96O25
Exact Mass 1204.624069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkkEwVbFLvO
Name 3-BETA-O-[BETA-D-QUINOVOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-OLEAN-12-ENE-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-B
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H96O25
InChI InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,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-,56+,57-,58-,59+/m1/s1
InChIKey NVSLBOBPSCMMSO-ZIBVVDAVSA-N
Literature Reference Author N.DETOMMASI,G.AUTORE,A.BELLINO,A.PINTO,C.PIZZA,R.SORRENTINO, P.VENTURELLA
Literature Reference Citation J.NAT.PROD.,63,308(2000)
Literature Reference DOI 10.1021/np990231n
Molecular Weight 1205.396 g/mol
Solvent CD3OD
Source File Reference UWRU4096