![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[2-ACETYL-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER](/api/spectrum/4RWUtcGi8y5/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[2-ACETYL-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER")
| SpectraBase Compound ID | E8gadkSZlVi |
|---|---|
| InChI | InChI=1S/C62H96O27/c1-25-38(70)40(72)48(83-28(4)64)54(80-25)88-50-49(84-29(5)65)46(86-53-43(75)41(73)45(26(2)81-53)85-52-44(76)47(33(67)23-79-52)87-51-42(74)39(71)32(66)22-78-51)27(3)82-55(50)89-56(77)62-19-18-57(6,7)20-31(62)30-12-13-35-58(8)16-15-36(68)59(9,24-63)34(58)14-17-60(35,10)61(30,11)21-37(62)69/h12,24-27,31-55,66-76H,13-23H2,1-11H3/t25-,26+,27-,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+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | UPRUDQPYXSSMGF-NIXGGZHSSA-N |
| Mol Weight | 1273.4 g/mol |
| Molecular Formula | C62H96O27 |
| Exact Mass | 1272.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RWUtcGi8y5 |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[2-ACETYL-QUINOVOPYRANOSYL-(1->2)]-(3-ACETYL)-FUCOPYRANOSYL]-QUILLAIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H96O27 |
| InChI | InChI=1S/C62H96O27/c1-25-38(70)40(72)48(83-28(4)64)54(80-25)88-50-49(84-29(5)65)46(86-53-43(75)41(73)45(26(2)81-53)85-52-44(76)47(33(67)23-79-52)87-51-42(74)39(71)32(66)22-78-51)27(3)82-55(50)89-56(77)62-19-18-57(6,7)20-31(62)30-12-13-35-58(8)16-15-36(68)59(9,24-63)34(58)14-17-60(35,10)61(30,11)21-37(62)69/h12,24-27,31-55,66-76H,13-23H2,1-11H3/t25-,26+,27-,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+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | UPRUDQPYXSSMGF-NIXGGZHSSA-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 | 1273.428 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1304 |