| SpectraBase Compound ID | A4JFdqwjq2X |
|---|---|
| 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-GEXHHMHOSA-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 | CVBFD2r9a9u |
|---|---|
| Name | MENTZEFOLIOL-HEPTAACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 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-GEXHHMHOSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 693.056 g/mol |
| Sample ID | 37804 |
| Solvent | CDCl3 |