| SpectraBase Compound ID | 2v7oi2XH4FY |
|---|---|
| InChI | InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31?/m1/s1 |
| InChIKey | XUOMQASZGNRVGJ-WEKGSEQBSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C31H38O8 |
| Exact Mass | 538.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMcdNDBZLLo |
|---|---|
| Name | 1-BETA,2-ALPHA,9-ALPHA-TRIHYDROXY-10-BETA-ACETOXY-5-ALPHA-CINNAMOYLOXY-3,11-CYCLOTAXA-4(20)-EN-13-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O8 |
| InChI | InChI=1S/C31H38O8/c1-17-21(33)16-29(37)26(36)31-18(2)22(39-23(34)13-12-20-10-8-7-9-11-20)14-15-28(31,6)24(35)25(38-19(3)32)30(17,31)27(29,4)5/h7-13,17,22,24-26,35-37H,2,14-16H2,1,3-6H3/b13-12+/t17-,22+,24+,25+,26-,28+,29-,30-,31?/m1/s1 |
| InChIKey | XUOMQASZGNRVGJ-WEKGSEQBSA-N |
| Literature Reference Author | T.L.PETZKE,Q.W.SHI,F.SAURIOL,O.MAMER,L.O.ZAMIR |
| Literature Reference Citation | J.NAT.PROD.,67,1864(2004) |
| Literature Reference DOI | 10.1021/np049836w |
| Molecular Weight | 538.638 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6734 |