| SpectraBase Compound ID | AmoX0fFCGxK |
|---|---|
| InChI | InChI=1S/C31H40O8/c1-17-22-13-21-14-23(38-19(3)33)18(2)27(30(21,4)16-32)28(36)29(37)31(22,5)25(34)15-24(17)39-26(35)12-11-20-9-7-6-8-10-20/h6-12,21-25,28-29,32,34,36-37H,1,13-16H2,2-5H3/b12-11+/t21-,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | ZLNYQQVFQOQZQD-BTMQHQIYSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C31H40O8 |
| Exact Mass | 540.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KZGjf1g42L |
|---|---|
| Name | 2-DEACETOXY-7,9,10-TRIDEACETYL-17-HYDROXY-TAXININE-J |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O8 |
| InChI | InChI=1S/C31H40O8/c1-17-22-13-21-14-23(38-19(3)33)18(2)27(30(21,4)16-32)28(36)29(37)31(22,5)25(34)15-24(17)39-26(35)12-11-20-9-7-6-8-10-20/h6-12,21-25,28-29,32,34,36-37H,1,13-16H2,2-5H3/b12-11+/t21-,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1 |
| InChIKey | ZLNYQQVFQOQZQD-BTMQHQIYSA-N |
| Literature Reference Author | D.A.SUN,F.SAURIOL,O.MAMER,L.O.ZAMIR |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,793(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00299-6 |
| Molecular Weight | 540.654 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU21907 |