| SpectraBase Compound ID | 12WdeDY1DQr |
|---|---|
| InChI | InChI=1S/C42H49NO11S/c1-21-11-9-8-10-12-24(4)42(54)43-35-39(52)29-18-27(7)38(51)34(33(29)40(53)41(35)55-20-32(47)48)37(50)26(6)17-25(5)36(49)23(3)14-16-28(44)15-13-22(2)31(46)19-30(21)45/h8-14,16-18,21,23,25,28,30,36,44-45,49,51H,15,19-20H2,1-7H3,(H,43,54)(H,47,48)/b10-8-,11-9+,16-14+,22-13+,24-12-,26-17+/t21-,23-,25-,28-,30-,36-/m0/s1 |
| InChIKey | ABYOOPVZTWKBKI-ZLQLBYQISA-N |
| Mol Weight | 775.9 g/mol |
| Molecular Formula | C42H49NO11S |
| Exact Mass | 775.302633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiKU8voZuOa |
|---|---|
| Name | NAPHTHOMYCIN_M |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H49NO11S |
| InChI | InChI=1S/C42H49NO11S/c1-21-11-9-8-10-12-24(4)42(54)43-35-39(52)29-18-27(7)38(51)34(33(29)40(53)41(35)55-20-32(47)48)37(50)26(6)17-25(5)36(49)23(3)14-16-28(44)15-13-22(2)31(46)19-30(21)45/h8-14,16-18,21,23,25,28,30,36,44-45,49,51H,15,19-20H2,1-7H3,(H,43,54)(H,47,48)/b10-8-,11-9+,16-14+,22-13+,24-12-,26-17+/t21-,23-,25-,28-,30-,36-/m0/s1 |
| InChIKey | ABYOOPVZTWKBKI-ZLQLBYQISA-N |
| Literature Reference Author | Y.H.YANG,X.L.FU,L.Q.LI,Y.ZENG,C.Y.LI,Y.N.HE,P.J.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,75,1409(2012) |
| Literature Reference DOI | 10.1021/np300109s |
| Molecular Weight | 775.911 g/mol |
| Sample ID | 41351 |
| Solvent | Unknown |