| SpectraBase Compound ID | GdRo57biDBG |
|---|---|
| InChI | InChI=1S/C35H45NO9/c1-15-11-9-10-12-24(37)36-27-19(5)34(44)25-23(35(27)45)14-18(4)31(41)26(25)30(40)17(3)13-16(2)29(39)21(7)33(43)22(8)32(42)20(6)28(15)38/h9-16,20-22,28-29,32-33,38-39,41-43H,1-8H3,(H,36,37)/b11-9+,12-10-,17-13+/t15-,16-,20+,21+,22+,28-,29-,32+,33+/m0/s1 |
| InChIKey | YIELQFCSZNNHLS-AIGVRGBASA-N |
| Mol Weight | 623.7 g/mol |
| Molecular Formula | C35H45NO9 |
| Exact Mass | 623.309432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLRelHSQbcf |
|---|---|
| Name | CHAXAMYCIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H45NO9 |
| InChI | InChI=1S/C35H45NO9/c1-15-11-9-10-12-24(37)36-27-19(5)34(44)25-23(35(27)45)14-18(4)31(41)26(25)30(40)17(3)13-16(2)29(39)21(7)33(43)22(8)32(42)20(6)28(15)38/h9-16,20-22,28-29,32-33,38-39,41-43H,1-8H3,(H,36,37)/b11-9+,12-10-,17-13+/t15-,16-,20+,21+,22+,28-,29-,32+,33+/m0/s1 |
| InChIKey | YIELQFCSZNNHLS-AIGVRGBASA-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 | 623.744 g/mol |
| Sample ID | 38496 |
| Solvent | DMSO-D6 |