![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[GLUCOPYRANOSYL-(1->4)-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-](/api/spectrum/HboRB3YTC1i/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[GLUCOPYRANOSYL-(1->4)-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-")
| SpectraBase Compound ID | CaOEfRleTWb |
|---|---|
| InChI | InChI=1S/C66H104O31/c1-25-48(92-55-47(83)51(32(71)23-86-55)95-54-43(79)38(74)31(70)22-85-54)41(77)45(81)56(87-25)94-50-27(3)89-59(53(52(50)90-28(4)69)96-57-46(82)42(78)49(26(2)88-57)93-58-44(80)40(76)39(75)33(21-67)91-58)97-60(84)66-18-17-61(5,6)19-30(66)29-11-12-35-62(7)15-14-36(72)63(8,24-68)34(62)13-16-64(35,9)65(29,10)20-37(66)73/h11,24-27,30-59,67,70-83H,12-23H2,1-10H3/t25-,26+,27+,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-,58+,59-,62-,63-,64+,65+,66+/m0/s1 |
| InChIKey | VQOOOPAUGZZROA-GOIVABOWSA-N |
| Mol Weight | 1393.5 g/mol |
| Molecular Formula | C66H104O31 |
| Exact Mass | 1392.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HboRB3YTC1i |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[GLUCOPYRANOSYL-(1->4)-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H104O31 |
| InChI | InChI=1S/C66H104O31/c1-25-48(92-55-47(83)51(32(71)23-86-55)95-54-43(79)38(74)31(70)22-85-54)41(77)45(81)56(87-25)94-50-27(3)89-59(53(52(50)90-28(4)69)96-57-46(82)42(78)49(26(2)88-57)93-58-44(80)40(76)39(75)33(21-67)91-58)97-60(84)66-18-17-61(5,6)19-30(66)29-11-12-35-62(7)15-14-36(72)63(8,24-68)34(62)13-16-64(35,9)65(29,10)20-37(66)73/h11,24-27,30-59,67,70-83H,12-23H2,1-10H3/t25-,26+,27+,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-,58+,59-,62-,63-,64+,65+,66+/m0/s1 |
| InChIKey | VQOOOPAUGZZROA-GOIVABOWSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1393.533 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1305 |