| SpectraBase Compound ID | 3qVEevlufY8 |
|---|---|
| InChI | InChI=1S/C35H45NO10/c1-14-11-9-10-12-22(37)36-26-17(4)32(43)23-24(33(44)21(8)34(45)25(23)35(26)46)29(40)16(3)13-15(2)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-15,18-20,27-28,30-31,38-39,41-42,44-45H,1-8H3,(H,36,37)/b11-9+,12-10-,16-13+/t14-,15-,18+,19+,20+,27-,28-,30+,31+/m0/s1 |
| InChIKey | OWRAZHDHNJAEKU-NMCWGSMOSA-N |
| Mol Weight | 639.7 g/mol |
| Molecular Formula | C35H45NO10 |
| Exact Mass | 639.304347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMI7SIoCKAh |
|---|---|
| Name | CHAXAMYCIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H45NO10 |
| InChI | InChI=1S/C35H45NO10/c1-14-11-9-10-12-22(37)36-26-17(4)32(43)23-24(33(44)21(8)34(45)25(23)35(26)46)29(40)16(3)13-15(2)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-15,18-20,27-28,30-31,38-39,41-42,44-45H,1-8H3,(H,36,37)/b11-9+,12-10-,16-13+/t14-,15-,18+,19+,20+,27-,28-,30+,31+/m0/s1 |
| InChIKey | OWRAZHDHNJAEKU-NMCWGSMOSA-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 | 639.743 g/mol |
| Sample ID | 38495 |
| Solvent | DMSO-D6 |