| SpectraBase Compound ID | DWvvCP1iRus |
|---|---|
| InChI | InChI=1S/C33H45ClO14/c1-14(2)12-22(39)47-24-27(44-18(6)36)31(9)21(43-17(5)35)11-10-15(3)23(34)26-33(41,16(4)30(40)48-26)29(46-20(8)38)25(31)32(13-42-32)28(24)45-19(7)37/h14,16,21,23-29,41H,3,10-13H2,1-2,4-9H3/t16-,21-,23?,24+,25+,26?,27-,28+,29-,31?,32-,33-/m1/s1 |
| InChIKey | UXSLAFGVDURMPX-NEXUANKNSA-N |
| Mol Weight | 701.2 g/mol |
| Molecular Formula | C33H45ClO14 |
| Exact Mass | 700.249784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjKw3RLRh3F |
|---|---|
| Name | (+)-GEMMACOLIDE-B |
| Compound Number | B2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45ClO14 |
| InChI | InChI=1S/C33H45ClO14/c1-14(2)12-22(39)47-24-27(44-18(6)36)31(9)21(43-17(5)35)11-10-15(3)23(34)26-33(41,16(4)30(40)48-26)29(46-20(8)38)25(31)32(13-42-32)28(24)45-19(7)37/h14,16,21,23-29,41H,3,10-13H2,1-2,4-9H3/t16-,21-,23?,24+,25+,26?,27-,28+,29-,31?,32-,33-/m1/s1 |
| InChIKey | UXSLAFGVDURMPX-NEXUANKNSA-N |
| Literature Reference Author | A.S.R.ANJANEYULU,N.S.K.RAO |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,959(1997) |
| Literature Reference DOI | 10.1039/a604271f |
| Molecular Weight | 701.165 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9760 |