| SpectraBase Compound ID | 6DkS7tqIJJU |
|---|---|
| InChI | InChI=1S/C31H46O6/c1-18(2)21-11-12-23-22(29(21,6)15-14-25(33)34)13-16-30(7)26(24(32)17-31(23,30)8)20(27(35)36)10-9-19(3)28(4,5)37/h12-13,20-21,24,26,32,37H,1,3,9-11,14-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,24+,26-,29-,30+,31-/m0/s1 |
| InChIKey | DJHQMAXOQISYNY-OHUXFVNZSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C31H46O6 |
| Exact Mass | 514.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuYSZ8zHGGb |
|---|---|
| Name | PORICOIC-ACID-D;16-ALPHA,25-DIHYDROXY-3,4-SECO-LANOSTA-4(28),7,9(11),24(31)-TETRAEN-3,21-DIOIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O6 |
| InChI | InChI=1S/C31H46O6/c1-18(2)21-11-12-23-22(29(21,6)15-14-25(33)34)13-16-30(7)26(24(32)17-31(23,30)8)20(27(35)36)10-9-19(3)28(4,5)37/h12-13,20-21,24,26,32,37H,1,3,9-11,14-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,24+,26-,29-,30+,31-/m0/s1 |
| InChIKey | DJHQMAXOQISYNY-OHUXFVNZSA-N |
| Literature Reference Author | T.TAI,A.AKAHORI,T.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,32,1239(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95099-4 |
| Molecular Weight | 514.703 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6402 |