| SpectraBase Compound ID | Kpcb9gDX6xx |
|---|---|
| InChI | InChI=1S/C35H58O13S.Na/c1-7-20(19(3)16-36)9-8-18(2)26-28(40)29(48-49(42,43)44)31-34(26,5)13-11-25-33(4)12-10-21(14-22(33)23(37)15-35(25,31)41)47-32-30(45-6)27(39)24(38)17-46-32;/h8-9,14,18-21,23-32,36-41H,7,10-13,15-17H2,1-6H3,(H,42,43,44);/q;+1/p-1/b9-8+;/t18-,19+,20+,21+,23-,24-,25?,26+,27+,28-,29+,30-,31?,32+,33+,34-,35+;/m1./s1 |
| InChIKey | MKQXFWQPZWGENF-IGEYFQTNSA-M |
| Mol Weight | 740.9 g/mol |
| Molecular Formula | C35H57NaO13S |
| Exact Mass | 740.341757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhqpuFGEcnC |
|---|---|
| Name | MKQXFWQPZWGENF-IGEYFQTNSA-M |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H57NaO13S |
| InChI | InChI=1S/C35H58O13S.Na/c1-7-20(19(3)16-36)9-8-18(2)26-28(40)29(48-49(42,43)44)31-34(26,5)13-11-25-33(4)12-10-21(14-22(33)23(37)15-35(25,31)41)47-32-30(45-6)27(39)24(38)17-46-32;/h8-9,14,18-21,23-32,36-41H,7,10-13,15-17H2,1-6H3,(H,42,43,44);/q;+1/p-1/b9-8+;/t18-,19+,20+,21+,23-,24-,25?,26+,27+,28-,29+,30-,31?,32+,33+,34-,35+;/m1./s1 |
| InChIKey | MKQXFWQPZWGENF-IGEYFQTNSA-M |
| Literature Reference Author | M.IORIZZI,F.DERICCARDIS,L.MINALE,R.RICCIO |
| Literature Reference Citation | J.NAT.PROD.,56,2149(1993) |
| Literature Reference DOI | 10.1021/np50102a018 |
| Molecular Weight | 740.880 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS18513 |