| SpectraBase Compound ID | A8SWP0a4j0C |
|---|---|
| InChI | InChI=1S/C29H37ClO17/c1-11(31)38-8-18-9-40-28(21-20(18)24(42-14(4)34)22(30)25(21)43-15(5)35)47-29-27(45-17(7)37)26(44-16(6)36)23(41-13(3)33)19(46-29)10-39-12(2)32/h9,19-29H,8,10H2,1-7H3/t19-,20?,21?,22+,23-,24-,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | GDMRDDYOQPFFNC-NPUSGTPJSA-N |
| Mol Weight | 693.1 g/mol |
| Molecular Formula | C29H37ClO17 |
| Exact Mass | 692.171927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwJ39Ljp65 |
|---|---|
| Name | MENTZEFOLIOL-HEPTAACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H37ClO17 |
| InChI | InChI=1S/C29H37ClO17/c1-11(31)38-8-18-9-40-28(21-20(18)24(42-14(4)34)22(30)25(21)43-15(5)35)47-29-27(45-17(7)37)26(44-16(6)36)23(41-13(3)33)19(46-29)10-39-12(2)32/h9,19-29H,8,10H2,1-7H3/t19-,20?,21?,22+,23-,24-,25+,26+,27-,28-,29+/m0/s1 |
| InChIKey | GDMRDDYOQPFFNC-NPUSGTPJSA-N |
| Literature Reference Author | S.CATALANO,G.FLAMINI,A.R.BILIA,I.MORELLI,M.NICOLETTI |
| Literature Reference Citation | PHYTOCHEM.,38,895(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00689-Q |
| Molecular Weight | 693.056 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3753 |