| SpectraBase Compound ID | Ll8om6QK9eT |
|---|---|
| InChI | InChI=1S/C31H43NO7/c1-17-21(33)16-31(38)27(36)25-18(2)22(13-14-30(25,5)28(37)26(35)24(17)29(31,3)4)39-23(34)15-20(32(6)7)19-11-9-8-10-12-19/h8-12,20,22,25-28,35-38H,2,13-16H2,1,3-7H3/t20?,22-,25-,26+,27-,28-,30+,31+/m0/s1 |
| InChIKey | BNMRQVVVXXWZTB-WYMYOTCWSA-N |
| Mol Weight | 541.7 g/mol |
| Molecular Formula | C31H43NO7 |
| Exact Mass | 541.303953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Om8FQPcKKZ |
|---|---|
| Name | 10-DEACETYLTAXINE-B |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43NO7 |
| InChI | InChI=1S/C31H43NO7/c1-17-21(33)16-31(38)27(36)25-18(2)22(13-14-30(25,5)28(37)26(35)24(17)29(31,3)4)39-23(34)15-20(32(6)7)19-11-9-8-10-12-19/h8-12,20,22,25-28,35-38H,2,13-16H2,1,3-7H3/t20?,22-,25-,26+,27-,28-,30+,31+/m0/s1 |
| InChIKey | BNMRQVVVXXWZTB-WYMYOTCWSA-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 | 541.685 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2554 |