| SpectraBase Compound ID | AXNZH7lVxkX |
|---|---|
| InChI | InChI=1S/C40H46O9/c1-24-34(47-32(42)19-15-26-11-7-5-8-12-26)36-40(4)29(38(49-36)48-33(43)20-16-27-13-9-6-10-14-27)17-18-30(45-25(2)41)35(40)39(24,3)31-23-28-21-22-44-37(28)46-31/h5-16,19-20,24,28-31,34-38H,17-18,21-23H2,1-4H3/b19-15+,20-16+/t24-,28-,29+,30-,31?,34-,35-,36+,37+,38-,39-,40+/m1/s1 |
| InChIKey | QIRZXAOTUKFAOE-RIFKJWHJSA-N |
| Mol Weight | 670.8 g/mol |
| Molecular Formula | C40H46O9 |
| Exact Mass | 670.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dHNoD0YX5X |
|---|---|
| Name | (4R,11S*,13R*)-1-BETA-ACETOXY-7-BETA,18-DI-O-TRANS-CINNAMOYLOXY-6-ALPHA,18:11,16:15,16-TRIEPOXY-NEOCLERODAN |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46O9 |
| InChI | InChI=1S/C40H46O9/c1-24-34(47-32(42)19-15-26-11-7-5-8-12-26)36-40(4)29(38(49-36)48-33(43)20-16-27-13-9-6-10-14-27)17-18-30(45-25(2)41)35(40)39(24,3)31-23-28-21-22-44-37(28)46-31/h5-16,19-20,24,28-31,34-38H,17-18,21-23H2,1-4H3/b19-15+,20-16+/t24-,28-,29+,30-,31?,34-,35-,36+,37+,38-,39-,40+/m1/s1 |
| InChIKey | QIRZXAOTUKFAOE-RIFKJWHJSA-N |
| Literature Reference Author | H.KIZU,N.SUGITA,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,988(1998) |
| Literature Reference DOI | 10.1248/cpb.46.988 |
| Molecular Weight | 670.800 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6499 |