![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->4)]-XYLOPYRANOSYL-(1->3)-[RHAMNOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN](/api/spectrum/26Vo2SGqYg4/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->4)]-XYLOPYRANOSYL-(1->3)-[RHAMNOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN")
| SpectraBase Compound ID | 9dUeQaPNItU |
|---|---|
| InChI | InChI=1S/C58H90O27/c1-23-32(62)36(66)39(69)48(78-23)84-44-42(82-51-43(83-49-40(70)37(67)34(64)27(19-59)79-49)35(65)28(21-77-51)80-47-38(68)33(63)26(61)20-76-47)41(71)50(85-45(44)46(72)73)81-31-11-12-54(4)29(55(31,5)22-60)10-13-57(7)30(54)9-8-24-25-18-53(2,3)14-16-58(25,52(74)75)17-15-56(24,57)6/h8,22-23,25-45,47-51,59,61-71H,9-21H2,1-7H3,(H,72,73)(H,74,75)/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,47+,48-,49-,50+,51-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | HKCRMVFCWPZSLQ-WVIPXGTISA-N |
| Mol Weight | 1219.3 g/mol |
| Molecular Formula | C58H90O27 |
| Exact Mass | 1218.566948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26Vo2SGqYg4 |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->4)]-XYLOPYRANOSYL-(1->3)-[RHAMNOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H90O27 |
| InChI | InChI=1S/C58H90O27/c1-23-32(62)36(66)39(69)48(78-23)84-44-42(82-51-43(83-49-40(70)37(67)34(64)27(19-59)79-49)35(65)28(21-77-51)80-47-38(68)33(63)26(61)20-76-47)41(71)50(85-45(44)46(72)73)81-31-11-12-54(4)29(55(31,5)22-60)10-13-57(7)30(54)9-8-24-25-18-53(2,3)14-16-58(25,52(74)75)17-15-56(24,57)6/h8,22-23,25-45,47-51,59,61-71H,9-21H2,1-7H3,(H,72,73)(H,74,75)/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,47+,48-,49-,50+,51-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | HKCRMVFCWPZSLQ-WVIPXGTISA-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 | 1219.336 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1094 |