| SpectraBase Compound ID | 11EonM2RCNn |
|---|---|
| InChI | InChI=1S/C30H44O6/c1-18(2)21-10-11-23-22(28(21,4)14-13-25(33)34)12-15-29(5)26(24(32)16-30(23,29)6)20(27(35)36)9-7-8-19(3)17-31/h8,11-12,20-21,24,26,31-32H,1,7,9-10,13-17H2,2-6H3,(H,33,34)(H,35,36)/b19-8+/t20?,21?,24-,26+,28+,29-,30+/m1/s1 |
| InChIKey | BAMOLJDIJFNXHV-TZRJTREPSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C30H44O6 |
| Exact Mass | 500.313789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8bNY9F0bOG |
|---|---|
| Name | PORICOIC_ACID_E;16-ALPHA,27-DIHYDROXY-3,4-SECOLANOSTA-4-(28),7,9-(11),24-TETRAEN-3,21-DIOIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O6 |
| InChI | InChI=1S/C30H44O6/c1-18(2)21-10-11-23-22(28(21,4)14-13-25(33)34)12-15-29(5)26(24(32)16-30(23,29)6)20(27(35)36)9-7-8-19(3)17-31/h8,11-12,20-21,24,26,31-32H,1,7,9-10,13-17H2,2-6H3,(H,33,34)(H,35,36)/b19-8+/t20?,21?,24-,26+,28+,29-,30+/m1/s1 |
| InChIKey | BAMOLJDIJFNXHV-TZRJTREPSA-N |
| Literature Reference Author | T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI |
| Literature Reference Citation | PHYTOCHEM.,39,1165(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00110-S |
| Molecular Weight | 500.676 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7791 |