| SpectraBase Compound ID | Ey4ITYBydr |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21?,22?,23?,28-,29+,30+,31-/m0/s1 |
| InChIKey | PPMUFCXCVKVCSV-BQNPSFKMSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4fiY4U94Ow |
|---|---|
| Name | (4aS,6aS,6bR,12aR)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid methyl ester |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21?,22?,23?,28-,29+,30+,31-/m0/s1 |
| InChIKey | PPMUFCXCVKVCSV-BQNPSFKMSA-N |
| Literature Reference Author | B.MA,Y.-P.SHI,Z.-J.JIA |
| Literature Reference Citation | PLANTA.MED.,63,573(1997) |
| Literature Reference DOI | 10.1055/s-2006-957773 |
| Molecular Weight | 468.720 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1054 |