| SpectraBase Compound ID | DcSoWqCUJBj |
|---|---|
| InChI | InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22?,24-,27-,28+,29-,30-,32+,33+/m0/s1 |
| InChIKey | OHBWHOURHPCGFY-WPXHRBNHSA-N |
| Mol Weight | 583.7 g/mol |
| Molecular Formula | C33H45NO8 |
| Exact Mass | 583.314517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHHvHuwdS0y |
|---|---|
| Name | ISOTAXINE-B;9-ACETYL-10-DEACETYLTAXINE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45NO8 |
| InChI | InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(39)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(41-20(3)35)28(38)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3/t22?,24-,27-,28+,29-,30-,32+,33+/m0/s1 |
| InChIKey | OHBWHOURHPCGFY-WPXHRBNHSA-N |
| Literature Reference Author | L.H.D.JENNISKENS,E.L.M.VANROZENDAAL,T.A.VANBEEK,P.H.G.WIEGER INCK,H.W.SCHEEREN |
| Literature Reference Citation | J.NAT.PROD.,59,117(1996) |
| Literature Reference DOI | 10.1021/np960033l |
| Molecular Weight | 583.722 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2551 |