| SpectraBase Compound ID | 2YujhJG408a |
|---|---|
| InChI | InChI=1S/C36H45NO12/c1-15-11-9-10-12-23(40)37-27-17(3)30(43)24-25(32(27)45)31(44)20(6)34-26(24)35(46)36(8,49-34)47-14-13-22(39)16(2)33(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-16,18-19,22,28-29,33,35,39,41-42,44,46H,1-8H3,(H,37,40)/b11-9+,12-10-,14-13+/t15-,16+,18+,19+,22-,28-,29+,33+,35-,36+/m0/s1 |
| InChIKey | QWIHJIQXNOWSHR-MIWIPQMRSA-N |
| Mol Weight | 683.8 g/mol |
| Molecular Formula | C36H45NO12 |
| Exact Mass | 683.294176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ajAAhbwUKe |
|---|---|
| Name | CHAXAMYCIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45NO12 |
| InChI | InChI=1S/C36H45NO12/c1-15-11-9-10-12-23(40)37-27-17(3)30(43)24-25(32(27)45)31(44)20(6)34-26(24)35(46)36(8,49-34)47-14-13-22(39)16(2)33(48-21(7)38)19(5)29(42)18(4)28(15)41/h9-16,18-19,22,28-29,33,35,39,41-42,44,46H,1-8H3,(H,37,40)/b11-9+,12-10-,14-13+/t15-,16+,18+,19+,22-,28-,29+,33+,35-,36+/m0/s1 |
| InChIKey | QWIHJIQXNOWSHR-MIWIPQMRSA-N |
| Literature Reference Author | M.E.RATEB,W.E.HOUSSEN,M.ARNOLD,M.H.ABDELRAHMAN,H.DENG,W.T.A. HARRISON,C.K.OKORO,J |
| Literature Reference Citation | J.NAT.PROD.,74,1491(2011) |
| Literature Reference DOI | 10.1021/np200320u |
| Molecular Weight | 683.753 g/mol |
| Sample ID | 38498 |
| Solvent | DMSO-D6 |