John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5UYzhoqXPjS SpectraBase Spectrum ID=8KjSpDWpGiH

(accessed ).
TERNSTROEMIASIDE-A;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-CAM
SpectraBase Compound ID 5UYzhoqXPjS
InChI InChI=1S/C54H88O24/c1-21-31(60)34(63)37(66)45(71-21)77-42-36(65)33(62)25(19-56)73-47(42)75-40-39(68)41(44(69)70)76-48(43(40)78-46-38(67)35(64)32(61)24(18-55)72-46)74-30-12-13-51(6)26(50(30,4)5)11-14-52(7)27(51)10-9-22-23-15-49(2,3)16-28(58)54(23,20-57)29(59)17-53(22,52)8/h9,21,23-43,45-48,55-68H,10-20H2,1-8H3,(H,69,70)/t21-,23?,24-,25+,26?,27?,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39-,40-,41-,42+,43+,45-,46+,47-,48+,51-,52+,53+,54+/m0/s1
InChIKey BUIOZZJEVAFSTE-DAHCWPDMSA-N
Mol Weight 1121.3 g/mol
Molecular Formula C54H88O24
Exact Mass 1120.566555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KjSpDWpGiH
Name TERNSTROEMIASIDE-A;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-CAM
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H88O24
InChI InChI=1S/C54H88O24/c1-21-31(60)34(63)37(66)45(71-21)77-42-36(65)33(62)25(19-56)73-47(42)75-40-39(68)41(44(69)70)76-48(43(40)78-46-38(67)35(64)32(61)24(18-55)72-46)74-30-12-13-51(6)26(50(30,4)5)11-14-52(7)27(51)10-9-22-23-15-49(2,3)16-28(58)54(23,20-57)29(59)17-53(22,52)8/h9,21,23-43,45-48,55-68H,10-20H2,1-8H3,(H,69,70)/t21-,23?,24-,25+,26?,27?,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39-,40-,41-,42+,43+,45-,46+,47-,48+,51-,52+,53+,54+/m0/s1
InChIKey BUIOZZJEVAFSTE-DAHCWPDMSA-N
Literature Reference Author M.H.SHIN,W.WANG,K.I.NAM,Y.JO,J.H.JUNG,K.S.IM
Literature Reference Citation J.NAT.PROD.,66,1351(2003)
Literature Reference DOI 10.1021/np0301644
Molecular Weight 1121.278 g/mol
Solvent CD3OD
Source File Reference UWSP1109
SpectraBase Batch ID HDcCj6zIagE