| SpectraBase Compound ID | KRDgPS82X9d |
|---|---|
| InChI | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 |
| InChIKey | DFKDOZMCHOGOBR-NCSQYGPNSA-N |
| Mol Weight | 690.7 g/mol |
| Molecular Formula | C35H46O14 |
| Exact Mass | 690.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICHiVMricbq |
|---|---|
| Name | SQUALESTATIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O14 |
| InChI | InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 |
| InChIKey | DFKDOZMCHOGOBR-NCSQYGPNSA-N |
| Literature Reference Author | C.A.JONES,P.J.SIDEBOTTOM,R.J.P.CANNELL,D.NOBLE,B.A.M.RUDD |
| Literature Reference Citation | J.ANTIBIOTICS,45,1492(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.1492 |
| Molecular Weight | 690.742 g/mol |
| Sample ID | 45962 |
| Solvent | ACETONE-D6 |