![HECOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G](/api/spectrum/BJ8eUMCW9AR/structure.png?h=300&w=458 "HECOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G")
| SpectraBase Compound ID | 6CKQZUs3i1J |
|---|---|
| InChI | InChI=1S/C55H88O27/c1-21-7-10-55(73-17-21)22(2)34-28(82-55)12-27-25-6-5-23-11-24(8-9-52(23,3)26(25)13-33(60)53(27,34)4)74-48-42(68)39(65)43(31(16-58)77-48)79-50-45(81-49-41(67)38(64)35(61)29(14-56)75-49)44(37(63)30(15-57)76-50)80-47-40(66)36(62)32(18-71-47)78-51-46(69)54(70,19-59)20-72-51/h21-32,34-51,56-59,61-70H,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+/m0/s1 |
| InChIKey | ANQIEVFGUHZDQN-CZGKGRRCSA-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 | BJ8eUMCW9AR |
|---|---|
| Name | HECOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-APIOFURANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-G |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O27 |
| InChI | InChI=1S/C55H88O27/c1-21-7-10-55(73-17-21)22(2)34-28(82-55)12-27-25-6-5-23-11-24(8-9-52(23,3)26(25)13-33(60)53(27,34)4)74-48-42(68)39(65)43(31(16-58)77-48)79-50-45(81-49-41(67)38(64)35(61)29(14-56)75-49)44(37(63)30(15-57)76-50)80-47-40(66)36(62)32(18-71-47)78-51-46(69)54(70,19-59)20-72-51/h21-32,34-51,56-59,61-70H,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+/m0/s1 |
| InChIKey | ANQIEVFGUHZDQN-CZGKGRRCSA-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 | 1181.288 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4421 |