| SpectraBase Compound ID | DCINHoVRA0M |
|---|---|
| InChI | InChI=1S/C27H38O10/c1-8-12(2)23(33)36-22-20-25(7,16(30)9-17-26(20,11-35-17)37-14(4)28)21(32)19(31)18-13(3)15(29)10-27(22,34)24(18,5)6/h8,15-17,19-20,22,29-31,34H,9-11H2,1-7H3/b12-8+/t15-,16-,17+,19+,20-,22-,25+,26-,27+/m0/s1 |
| InChIKey | GADAUHGBDGVMET-ORSMARSKSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C27H38O10 |
| Exact Mass | 522.246497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | De5S0B5G6Zf |
|---|---|
| Name | 2-DEBENZOYL-2-TIGLOYL-10-DEACETYL-BACCATIN-3 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O10 |
| InChI | InChI=1S/C27H38O10/c1-8-12(2)23(33)36-22-20-25(7,16(30)9-17-26(20,11-35-17)37-14(4)28)21(32)19(31)18-13(3)15(29)10-27(22,34)24(18,5)6/h8,15-17,19-20,22,29-31,34H,9-11H2,1-7H3/b12-8+/t15-,16-,17+,19+,20-,22-,25+,26-,27+/m0/s1 |
| InChIKey | GADAUHGBDGVMET-ORSMARSKSA-N |
| Literature Reference Author | B.GABETTA,P.DEBELLIS,R.PACE,G.APPENDINO,L.BARBONI,E.TORREGIA NI,P.GARIBOLDI,D.VIT |
| Literature Reference Citation | J.NAT.PROD.,58,1508(1995) |
| Literature Reference DOI | 10.1021/np50124a005 |
| Molecular Weight | 522.593 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU588 |