| SpectraBase Compound ID | IClMYPeLk78 |
|---|---|
| InChI | InChI=1S/C32H43NO9/c1-6-33-14-30(15-38-2)18(34)12-19(39-3)32-17-13-31(37)27(42-29(36)16-10-8-7-9-11-16)20(17)21(23(35)28(31)41-5)22(26(32)33)24(40-4)25(30)32/h7-11,17-22,24-28,34,37H,6,12-15H2,1-5H3/t17-,18-,19+,20+,21+,22?,24+,25-,26?,27-,28+,30+,31-,32+/m1/s1 |
| InChIKey | RMTJALKWXOBAMX-CATKFASCSA-N |
| Mol Weight | 585.7 g/mol |
| Molecular Formula | C32H43NO9 |
| Exact Mass | 585.293782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vtM4qjAI9y |
|---|---|
| Name | PYROACONITINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H43NO9 |
| InChI | InChI=1S/C32H43NO9/c1-6-33-14-30(15-38-2)18(34)12-19(39-3)32-17-13-31(37)27(42-29(36)16-10-8-7-9-11-16)20(17)21(23(35)28(31)41-5)22(26(32)33)24(40-4)25(30)32/h7-11,17-22,24-28,34,37H,6,12-15H2,1-5H3/t17-,18-,19+,20+,21+,22?,24+,25-,26?,27-,28+,30+,31-,32+/m1/s1 |
| InChIKey | RMTJALKWXOBAMX-CATKFASCSA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,57,963(1994) |
| Literature Reference DOI | 10.1021/np50109a013 |
| Molecular Weight | 585.695 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1490 |