| SpectraBase Compound ID | IoK6kCEpH4U |
|---|---|
| InChI | InChI=1S/C31H40O11/c1-14(2)22(34)41-25-27(3,4)20(19(33)23(35)38-7)29(6)16-8-10-28(5)17(31(16)26(42-31)30(25,37)24(29)36)12-18(32)40-21(28)15-9-11-39-13-15/h9,11,13-14,16-17,19-21,25-26,33,37H,8,10,12H2,1-7H3/t16-,17-,19+,20+,21+,25+,26-,28-,29-,30+,31-/m1/s1 |
| InChIKey | ADDLXGZBTXNVDS-LIVFOVTQSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C31H40O11 |
| Exact Mass | 588.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 277TNcMKqWN |
|---|---|
| Name | METHYL-3-BETA-ISOBUTYRYLOXY-2,6-DIHYDROXY-8-ALPHA,30-ALPHA-EPOXY-1-OXO-MELIACATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O11 |
| InChI | InChI=1S/C31H40O11/c1-14(2)22(34)41-25-27(3,4)20(19(33)23(35)38-7)29(6)16-8-10-28(5)17(31(16)26(42-31)30(25,37)24(29)36)12-18(32)40-21(28)15-9-11-39-13-15/h9,11,13-14,16-17,19-21,25-26,33,37H,8,10,12H2,1-7H3/t16-,17-,19+,20+,21+,25+,26-,28-,29-,30+,31-/m1/s1 |
| InChIKey | ADDLXGZBTXNVDS-LIVFOVTQSA-N |
| Literature Reference Author | K.KOJIMA,K.ISAKA,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,523(1998) |
| Literature Reference DOI | 10.1248/cpb.46.523 |
| Molecular Weight | 588.652 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS6289 |