| SpectraBase Compound ID | JTIXMuCArzO |
|---|---|
| InChI | InChI=1S/C36H52O9/c1-9-22(4)30-24(6)17-29(37)35(45-30)19-26-18-25(44-35)14-13-21(3)15-20(2)11-10-12-27-34(41-8)43-32-31(40-7)23(5)16-28(33(38)42-26)36(27,32)39/h9-13,16,20,24-26,28-32,34,37,39H,14-15,17-19H2,1-8H3/b11-10+,21-13+,22-9+,27-12+/t20-,24-,25+,26-,28-,29+,30+,31+,32?,34-,35-,36+/m0/s1 |
| InChIKey | WBHMTTLDIAMPAD-VTLUSFBHSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C36H52O9 |
| Exact Mass | 628.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J54HFrj3niZ |
|---|---|
| Name | VM48641 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O9 |
| InChI | InChI=1S/C36H52O9/c1-9-22(4)30-24(6)17-29(37)35(45-30)19-26-18-25(44-35)14-13-21(3)15-20(2)11-10-12-27-34(41-8)43-32-31(40-7)23(5)16-28(33(38)42-26)36(27,32)39/h9-13,16,20,24-26,28-32,34,37,39H,14-15,17-19H2,1-8H3/b11-10+,21-13+,22-9+,27-12+/t20-,24-,25+,26-,28-,29+,30+,31+,32?,34-,35-,36+/m0/s1 |
| InChIKey | WBHMTTLDIAMPAD-VTLUSFBHSA-N |
| Literature Reference Author | G.H.BAKER,S.E.BLANCHFLOWER,R.J.J.DORGAN,J.R.EVERETT,B.R.MANG ER,C.R.READING,S.A.R |
| Literature Reference Citation | J.ANTIBIOTICS,49,272(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.272 |
| Molecular Weight | 628.803 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS23274 |