| SpectraBase Compound ID | 4k59DTQ3cmG |
|---|---|
| InChI | InChI=1S/C63H88O22/c1-33-50(65)55(75-10)51(66)58(80-33)85-54-36(4)79-49(30-44(54)74-9)84-53-35(3)78-48(29-43(53)73-8)83-52-34(2)77-47(28-42(52)72-7)81-41-22-23-60(32-76-56(67)38-17-13-11-14-18-38)40(27-41)21-24-62(70)45(60)31-46(82-57(68)39-19-15-12-16-20-39)59(6)61(69,37(5)64)25-26-63(59,62)71/h11-21,33-36,41-55,58,65-66,69-71H,22-32H2,1-10H3/t33?,34?,35?,36?,41-,42-,43+,44-,45+,46+,47-,48+,49-,50-,51-,52+,53-,54+,55+,58+,59+,60+,61+,62-,63+/m0/s1 |
| InChIKey | NQKOKGGFYQWYQG-XIDADCOYSA-N |
| Mol Weight | 1197.4 g/mol |
| Molecular Formula | C63H88O22 |
| Exact Mass | 1196.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82bkOFYEXL |
|---|---|
| Name | #18;12-O-BENZOYL-19-BENZOYLOXYDEACYLMETAPLEXIGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H88O22 |
| InChI | InChI=1S/C63H88O22/c1-33-50(65)55(75-10)51(66)58(80-33)85-54-36(4)79-49(30-44(54)74-9)84-53-35(3)78-48(29-43(53)73-8)83-52-34(2)77-47(28-42(52)72-7)81-41-22-23-60(32-76-56(67)38-17-13-11-14-18-38)40(27-41)21-24-62(70)45(60)31-46(82-57(68)39-19-15-12-16-20-39)59(6)61(69,37(5)64)25-26-63(59,62)71/h11-21,33-36,41-55,58,65-66,69-71H,22-32H2,1-10H3/t33?,34?,35?,36?,41-,42-,43+,44-,45+,46+,47-,48+,49-,50-,51-,52+,53-,54+,55+,58+,59+,60+,61+,62-,63+/m0/s1 |
| InChIKey | NQKOKGGFYQWYQG-XIDADCOYSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1197.379 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20274 |