![HECOGENIN-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/FFFs39NgIBr/structure.png?h=300&w=458 "HECOGENIN-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 | 4QJKlcc0px4 |
|---|---|
| InChI | InChI=1S/C56H90O28/c1-21-7-10-56(74-18-21)22(2)34-28(84-56)12-27-25-6-5-23-11-24(8-9-53(23,3)26(25)13-33(62)54(27,34)4)75-48-41(69)38(66)43(31(16-59)78-48)80-51-46(83-49-40(68)37(65)35(63)29(14-57)76-49)45(36(64)30(15-58)77-51)82-50-42(70)39(67)44(32(17-60)79-50)81-52-47(71)55(72,19-61)20-73-52/h21-32,34-52,57-61,63-72H,5-20H2,1-4H3/t21-,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-,56+/m0/s1 |
| InChIKey | RQUNMOSURXCNON-DQMCSBNOSA-N |
| Mol Weight | 1211.3 g/mol |
| Molecular Formula | C56H90O28 |
| Exact Mass | 1210.561862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFFs39NgIBr |
|---|---|
| Name | HECOGENIN-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 | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O28 |
| InChI | InChI=1S/C56H90O28/c1-21-7-10-56(74-18-21)22(2)34-28(84-56)12-27-25-6-5-23-11-24(8-9-53(23,3)26(25)13-33(62)54(27,34)4)75-48-41(69)38(66)43(31(16-59)78-48)80-51-46(83-49-40(68)37(65)35(63)29(14-57)76-49)45(36(64)30(15-58)77-51)82-50-42(70)39(67)44(32(17-60)79-50)81-52-47(71)55(72,19-61)20-73-52/h21-32,34-52,57-61,63-72H,5-20H2,1-4H3/t21-,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-,56+/m0/s1 |
| InChIKey | RQUNMOSURXCNON-DQMCSBNOSA-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 | 1211.314 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4423 |