![GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/BZS2PX1tVoR/structure.png?h=300&w=458 "GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | Ec1mIBRgtcE |
|---|---|
| InChI | InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3/t19-,20-,21-,22?,23?,24?,25+,26+,27?,28+,29+,30-,31-,32?,33+,34+,35-,36+,37-,38-,39-,40+,41-,42+,43-,44+,45-,46+,47-,48-,49-,50-,51+/m0/s1 |
| InChIKey | OJXYLGQQFXELNY-QFGQCMDWSA-N |
| Mol Weight | 1081.2 g/mol |
| Molecular Formula | C51H84O24 |
| Exact Mass | 1080.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZS2PX1tVoR |
|---|---|
| Name | GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O24 |
| InChI | InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3/t19-,20-,21-,22?,23?,24?,25+,26+,27?,28+,29+,30-,31-,32?,33+,34+,35-,36+,37-,38-,39-,40+,41-,42+,43-,44+,45-,46+,47-,48-,49-,50-,51+/m0/s1 |
| InChIKey | OJXYLGQQFXELNY-QFGQCMDWSA-N |
| Literature Reference Author | Y.MIMAKI,T.KANMOTO,Y.SASHIDA,A.NISHINO,Y.SATOMI,H.NISHINO |
| Literature Reference Citation | PHYTOCHEM.,41,1405(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00789-X |
| Molecular Weight | 1081.214 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4418 |