![NEOHECOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTO](/api/spectrum/7GVp3zv4nfd/structure.png?h=300&w=458 "NEOHECOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTO")
| SpectraBase Compound ID | HtATyaYRvkf |
|---|---|
| InChI | InChI=1S/C55H88O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)45(32(16-58)77-50)79-52-47(46(37(64)31(15-57)76-52)80-51-41(68)38(65)36(63)30(14-56)75-51)81-49-43(70)44(28(60)19-72-49)78-48-40(67)35(62)27(59)18-71-48/h20-32,34-52,56-60,62-70H,5-19H2,1-4H3/t20-,21?,22-,23?,24?,25?,26?,27-,28-,29?,30-,31-,32+,34?,35+,36-,37-,38+,39+,40-,41-,42+,43-,44+,45-,46+,47-,48+,49+,50+,51+,52+,53?,54?,55?/m0/s1 |
| InChIKey | KBDGBIMFOFCRID-FDWVVPGCSA-N |
| Mol Weight | 1181.3 g/mol |
| Molecular Formula | C55H88O27 |
| Exact Mass | 1180.551298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GVp3zv4nfd |
|---|---|
| Name | NEOHECOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTO |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O27 |
| InChI | InChI=1S/C55H88O27/c1-20-7-10-55(73-17-20)21(2)34-29(82-55)12-26-24-6-5-22-11-23(8-9-53(22,3)25(24)13-33(61)54(26,34)4)74-50-42(69)39(66)45(32(16-58)77-50)79-52-47(46(37(64)31(15-57)76-52)80-51-41(68)38(65)36(63)30(14-56)75-51)81-49-43(70)44(28(60)19-72-49)78-48-40(67)35(62)27(59)18-71-48/h20-32,34-52,56-60,62-70H,5-19H2,1-4H3/t20-,21?,22-,23?,24?,25?,26?,27-,28-,29?,30-,31-,32+,34?,35+,36-,37-,38+,39+,40-,41-,42+,43-,44+,45-,46+,47-,48+,49+,50+,51+,52+,53?,54?,55?/m0/s1 |
| InChIKey | KBDGBIMFOFCRID-FDWVVPGCSA-N |
| Literature Reference Author | M.M.ABDEL-GAWAD,M.M.EL-SAYED,E.S.ABDEL-HAMEED |
| Literature Reference Citation | FITOTERAPIA,70,371(1999) |
| Literature Reference DOI | 10.1016/S0367-326X(99)00057-X |
| Molecular Weight | 1181.288 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN3755 |