![GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-](/api/spectrum/Joa90TxJHjh/structure.png?h=300&w=458 "GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-")
| SpectraBase Compound ID | 7F7klVPCnZ1 |
|---|---|
| InChI | InChI=1S/C56H92O28/c1-21-7-10-56(74-18-21)22(2)34-29(84-56)12-26-24-6-5-23-11-28(27(62)13-54(23,4)25(24)8-9-53(26,34)3)75-48-41(69)38(66)43(32(16-59)78-48)80-51-46(83-49-40(68)37(65)35(63)30(14-57)76-49)45(36(64)31(15-58)77-51)82-50-42(70)39(67)44(33(17-60)79-50)81-52-47(71)55(72,19-61)20-73-52/h21-52,57-72H,5-20H2,1-4H3/t21-,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-,52-,53-,54-,55+,56+/m0/s1 |
| InChIKey | COBZLHMDIHCUIO-OGYFPRRTSA-N |
| Mol Weight | 1213.3 g/mol |
| Molecular Formula | C56H92O28 |
| Exact Mass | 1212.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Joa90TxJHjh |
|---|---|
| Name | GITOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D- |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H92O28 |
| InChI | InChI=1S/C56H92O28/c1-21-7-10-56(74-18-21)22(2)34-29(84-56)12-26-24-6-5-23-11-28(27(62)13-54(23,4)25(24)8-9-53(26,34)3)75-48-41(69)38(66)43(32(16-59)78-48)80-51-46(83-49-40(68)37(65)35(63)30(14-57)76-49)45(36(64)31(15-58)77-51)82-50-42(70)39(67)44(33(17-60)79-50)81-52-47(71)55(72,19-61)20-73-52/h21-52,57-72H,5-20H2,1-4H3/t21-,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-,52-,53-,54-,55+,56+/m0/s1 |
| InChIKey | COBZLHMDIHCUIO-OGYFPRRTSA-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 | 1213.330 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4420 |