| SpectraBase Compound ID | 4O18Y3UfpzU |
|---|---|
| InChI | InChI=1S/C29H29F3N2O11/c1-10-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(10,17)40)41-9-11-5-7-12(8-6-11)28(33-34-28)29(30,31)32/h5-8,10,13-18,22,35-36,40H,9H2,1-4H3/t10-,13-,14-,15+,16+,17?,18+,22+,24+,25+,26-,27+/m1/s1 |
| InChIKey | JJABSUARQICJFK-ASNIXAORSA-N |
| Mol Weight | 638.55 g/mol |
| Molecular Formula | C29H29F3N2O11 |
| Exact Mass | 638.172344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rFVqzYzeIJ |
|---|---|
| Name | 10-O-(TRIFLUOROMETHYL-3H-DIAZIRINE)-BENZYL-GINKGOLIDE-C |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H29F3N2O11 |
| InChI | InChI=1S/C29H29F3N2O11/c1-10-19(37)42-17-15(36)25-16-13(35)14(23(2,3)4)24(25)18(20(38)44-22(24)45-27(25,21(39)43-16)26(10,17)40)41-9-11-5-7-12(8-6-11)28(33-34-28)29(30,31)32/h5-8,10,13-18,22,35-36,40H,9H2,1-4H3/t10-,13-,14-,15+,16+,17?,18+,22+,24+,25+,26-,27+/m1/s1 |
| InChIKey | JJABSUARQICJFK-ASNIXAORSA-N |
| Literature Reference Author | K.STROMGAARD,D.R.SAITO,H.SHINDOU,S.ISHII,T.SHIMIZU,K.NAKANIS HI |
| Literature Reference Citation | J.MED.CHEM.,45,4038(2002) |
| Literature Reference DOI | 10.1021/jm020147w |
| Molecular Weight | 638.551 g/mol |
| Sample ID | 65086 |
| Solvent | CDCl3 |