| SpectraBase Compound ID | H2Z0TYJAWPq |
|---|---|
| InChI | InChI=1S/C36H46O12/c1-9-25(40)46-28-18(2)16-36(43)27(28)30(47-31(41)22-13-11-10-12-14-22)35(17-44-19(3)37)24(45-20(4)38)15-23-26(33(23,6)7)29(35)34(8,32(36)42)48-21(5)39/h10-14,18,23-24,26-30,43H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,34-,35+,36+/m0/s1 |
| InChIKey | XCYFSKKZKGHHRG-BZCIOZDJSA-N |
| Mol Weight | 670.8 g/mol |
| Molecular Formula | C36H46O12 |
| Exact Mass | 670.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wzg6B2i3QL |
|---|---|
| Name | PREMYRSINOL-3-PROPANOATE-5-BENZOATE-7,13,17-TRIACETATE |
| Compound Number | 4F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O12 |
| InChI | InChI=1S/C36H46O12/c1-9-25(40)46-28-18(2)16-36(43)27(28)30(47-31(41)22-13-11-10-12-14-22)35(17-44-19(3)37)24(45-20(4)38)15-23-26(33(23,6)7)29(35)34(8,32(36)42)48-21(5)39/h10-14,18,23-24,26-30,43H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,34-,35+,36+/m0/s1 |
| InChIKey | XCYFSKKZKGHHRG-BZCIOZDJSA-N |
| Literature Reference Author | G.APPENDINO,E.BELLORO,G.C.TRON,J.JAKUPOVIC,M.BALLERO |
| Literature Reference Citation | J.NAT.PROD.,62,1399(1999) |
| Literature Reference DOI | 10.1021/np990209u |
| Molecular Weight | 670.754 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20811 |