| SpectraBase Compound ID | EnxaIdPlbz0 |
|---|---|
| InChI | InChI=1S/C62H94O24/c1-29(64)37-19-22-62(71)60(37,7)43(82-56(69)34-15-13-12-14-16-34)27-42-59(6)20-18-36(23-35(59)17-21-61(42,62)70)80-44-24-38(72-8)51(30(2)76-44)83-45-25-39(73-9)52(31(3)77-45)84-46-26-40(74-10)53(32(4)78-46)85-58-50(68)55(75-11)54(33(5)79-58)86-57-49(67)48(66)47(65)41(28-63)81-57/h12-17,30-33,36-55,57-58,63,65-68,70-71H,18-28H2,1-11H3/t30-,31+,32-,33+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,57+,58-,59+,60+,61+,62-/m1/s1 |
| InChIKey | ZKHDIVLPRWDSDF-XEIMXQFFSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C62H94O24 |
| Exact Mass | 1222.613504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kndk3wHq7T6 |
|---|---|
| Name | 12-O-BENZOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANO |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H94O24 |
| InChI | InChI=1S/C62H94O24/c1-29(64)37-19-22-62(71)60(37,7)43(82-56(69)34-15-13-12-14-16-34)27-42-59(6)20-18-36(23-35(59)17-21-61(42,62)70)80-44-24-38(72-8)51(30(2)76-44)83-45-25-39(73-9)52(31(3)77-45)84-46-26-40(74-10)53(32(4)78-46)85-58-50(68)55(75-11)54(33(5)79-58)86-57-49(67)48(66)47(65)41(28-63)81-57/h12-17,30-33,36-55,57-58,63,65-68,70-71H,18-28H2,1-11H3/t30-,31+,32-,33+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49-,50+,51-,52+,53-,54+,55+,57+,58-,59+,60+,61+,62-/m1/s1 |
| InChIKey | ZKHDIVLPRWDSDF-XEIMXQFFSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1223.414 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5045 |