| SpectraBase Compound ID | 9gnJF3JZD07 |
|---|---|
| InChI | InChI=1S/C33H46O19/c1-4-13-12(2)18-7-15(13)17(28(43)45-3)11-47-31(52-33-27(42)25(40)23(38)20(9-36)50-33)21-14(5-6-34)16(29(44)48-18)10-46-30(21)51-32-26(41)24(39)22(37)19(8-35)49-32/h4,6,10-15,18-27,30-33,35-42H,1,5,7-9H2,2-3H3/b17-11-/t12-,13-,14+,15-,18-,19+,20-,21+,22+,23-,24-,25+,26+,27-,30-,31+,32-,33+/m0/s1 |
| InChIKey | QMDDOXYGVQQWAK-ULWIRNRHSA-N |
| Mol Weight | 746.7 g/mol |
| Molecular Formula | C33H46O19 |
| Exact Mass | 746.263329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oLp8qdyuFP |
|---|---|
| Name | RAPULASIDE-A |
| Compound Number | 153 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46O19 |
| InChI | InChI=1S/C33H46O19/c1-4-13-12(2)18-7-15(13)17(28(43)45-3)11-47-31(52-33-27(42)25(40)23(38)20(9-36)50-33)21-14(5-6-34)16(29(44)48-18)10-46-30(21)51-32-26(41)24(39)22(37)19(8-35)49-32/h4,6,10-15,18-27,30-33,35-42H,1,5,7-9H2,2-3H3/b17-11-/t12-,13-,14+,15-,18-,19+,20-,21+,22+,23-,24-,25+,26+,27-,30-,31+,32-,33+/m0/s1 |
| InChIKey | QMDDOXYGVQQWAK-ULWIRNRHSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 746.717 g/mol |
| Sample ID | 37565 |
| Solvent | C5D5N |