| SpectraBase Compound ID | BrmK7xVv7vl |
|---|---|
| InChI | InChI=1S/C33H44O12/c1-16-9-26(43-18(3)36)33(39)29(41-16)44-23-11-20-5-6-22-21(31(20,15-34)12-24(23)45-33)7-8-30(4)28(19-10-27(37)40-14-19)25(42-17(2)35)13-32(22,30)38/h10,15-16,20-26,28-29,38-39H,5-9,11-14H2,1-4H3/t16-,20+,21+,22-,23-,24-,25-,26-,28+,29+,30-,31-,32+,33+/m1/s1 |
| InChIKey | WDMVIHZXOHPIHJ-JGDSOQTMSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C33H44O12 |
| Exact Mass | 632.283277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OQxPubm5CK |
|---|---|
| Name | CALACTIN-16-ALPHA-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44O12 |
| InChI | InChI=1S/C33H44O12/c1-16-9-26(43-18(3)36)33(39)29(41-16)44-23-11-20-5-6-22-21(31(20,15-34)12-24(23)45-33)7-8-30(4)28(19-10-27(37)40-14-19)25(42-17(2)35)13-32(22,30)38/h10,15-16,20-26,28-29,38-39H,5-9,11-14H2,1-4H3/t16-,20+,21+,22-,23-,24-,25-,26-,28+,29+,30-,31-,32+,33+/m1/s1 |
| InChIKey | WDMVIHZXOHPIHJ-JGDSOQTMSA-N |
| Literature Reference Author | S.D.JOLAD,R.B.BATES,J.R.COLE,J.J.HOFFMANN,T.J.SIAHAAN,B.N.TI MMERMANN |
| Literature Reference Citation | PHYTOCHEM.,25,2581(1986) |
| Literature Reference DOI | 10.1016/S0031-9422(00)84515-X |
| Molecular Weight | 632.705 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK428 |