![3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-[XYLOPYRANOSYL-(1->4)]-[ARABINOPYRANOSYL-(1->6)]-GLUCURONOPYRANOSYL]-GYPSOGENIN](/api/spectrum/K5TT874HanX/structure.png?h=300&w=458 "3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-[XYLOPYRANOSYL-(1->4)]-[ARABINOPYRANOSYL-(1->6)]-GLUCURONOPYRANOSYL]-GYPSOGENIN")
| SpectraBase Compound ID | F9mqLHjZtCr |
|---|---|
| InChI | InChI=1S/C58H90O28/c1-53(2)13-15-58(52(75)76)16-14-56(5)23(24(58)17-53)7-8-30-54(3)11-10-31(55(4,22-61)29(54)9-12-57(30,56)6)81-51-45(85-50-41(73)37(69)35(67)28(19-60)80-50)43(83-49-40(72)36(68)34(66)27(18-59)79-49)42(82-47-38(70)32(64)25(62)20-77-47)44(84-51)46(74)86-48-39(71)33(65)26(63)21-78-48/h7,22,24-45,47-51,59-60,62-73H,8-21H2,1-6H3,(H,75,76)/t24?,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 | PCIPBGWCSOYOJR-DPWLHPPPSA-N |
| Mol Weight | 1235.3 g/mol |
| Molecular Formula | C58H90O28 |
| Exact Mass | 1234.561862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5TT874HanX |
|---|---|
| Name | 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[GALACTOPYRANOSYL-(1->3)]-[XYLOPYRANOSYL-(1->4)]-[ARABINOPYRANOSYL-(1->6)]-GLUCURONOPYRANOSYL]-GYPSOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H90O28 |
| InChI | InChI=1S/C58H90O28/c1-53(2)13-15-58(52(75)76)16-14-56(5)23(24(58)17-53)7-8-30-54(3)11-10-31(55(4,22-61)29(54)9-12-57(30,56)6)81-51-45(85-50-41(73)37(69)35(67)28(19-60)80-50)43(83-49-40(72)36(68)34(66)27(18-59)79-49)42(82-47-38(70)32(64)25(62)20-77-47)44(84-51)46(74)86-48-39(71)33(65)26(63)21-78-48/h7,22,24-45,47-51,59-60,62-73H,8-21H2,1-6H3,(H,75,76)/t24?,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 | PCIPBGWCSOYOJR-DPWLHPPPSA-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 | 1235.336 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN1096 |