| SpectraBase Compound ID | JEyEGpQcraO |
|---|---|
| InChI | InChI=1S/C53H84O20/c1-13-24(2)48(59)70-37-22-36-50(8)16-15-31(18-30(50)14-17-52(36,60)53(61)23-33(56)41(25(3)54)51(37,53)9)69-38-19-32(55)44(27(5)65-38)71-39-20-34(62-10)45(28(6)66-39)72-40-21-35(63-11)46(29(7)67-40)73-49-43(58)47(64-12)42(57)26(4)68-49/h13-14,26-29,31-47,49,55-58,60-61H,15-23H2,1-12H3/b24-13+/t26-,27-,28-,29+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47+,49+,50-,51+,52-,53+/m0/s1 |
| InChIKey | UKBOUKRAJPQZPL-HVHLQPLSSA-N |
| Mol Weight | 1041.2 g/mol |
| Molecular Formula | C53H84O20 |
| Exact Mass | 1040.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuOVGH3WTn5 |
|---|---|
| Name | 12-O-TIGLOYL-16-ALPHA-HYDROXYISOLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-B |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O20 |
| InChI | InChI=1S/C53H84O20/c1-13-24(2)48(59)70-37-22-36-50(8)16-15-31(18-30(50)14-17-52(36,60)53(61)23-33(56)41(25(3)54)51(37,53)9)69-38-19-32(55)44(27(5)65-38)71-39-20-34(62-10)45(28(6)66-39)72-40-21-35(63-11)46(29(7)67-40)73-49-43(58)47(64-12)42(57)26(4)68-49/h13-14,26-29,31-47,49,55-58,60-61H,15-23H2,1-12H3/b24-13+/t26-,27-,28-,29+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44-,45-,46+,47+,49+,50-,51+,52-,53+/m0/s1 |
| InChIKey | UKBOUKRAJPQZPL-HVHLQPLSSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,99(2000) |
| Literature Reference DOI | 10.1248/cpb.48.99 |
| Molecular Weight | 1041.238 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4839 |