| SpectraBase Compound ID | BOADllpev5O |
|---|---|
| InChI | InChI=1S/C26H36O4/c1-24-13-8-14-25(2,23(29)30-18-19-9-4-3-5-10-19)20(24)12-16-26(17-22(27)28)15-7-6-11-21(24)26/h3-5,9-10,20-21H,6-8,11-18H2,1-2H3,(H,27,28)/t20-,21+,24+,25-,26-/m1/s1 |
| InChIKey | SGBKJLFEEUNAKD-JILMNHAFSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C26H36O4 |
| Exact Mass | 412.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GXUNWoPcNiC |
|---|---|
| Name | 1,4a,dimethyl 8a-carboxymethyl-perhydrophenanthrene-1-acid benzyl ester dev. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36O4 |
| InChI | InChI=1S/C26H36O4/c1-24-13-8-14-25(2,23(29)30-18-19-9-4-3-5-10-19)20(24)12-16-26(17-22(27)28)15-7-6-11-21(24)26/h3-5,9-10,20-21H,6-8,11-18H2,1-2H3,(H,27,28)/t20-,21+,24+,25-,26-/m1/s1 |
| InChIKey | SGBKJLFEEUNAKD-JILMNHAFSA-N |
| Molecular Weight | 412.570 g/mol |
| SMILES | OC(C[C@]12[C@]([C@@]3([C@]([C@](C(OCc4ccccc4)=O)(CCC3)C)(CC1)[H])C)(CCCC2)[H])=O |
| SPLASH | splash10-0006-9332000000-2c5132034022e11ad256 |
| Source of Spectrum | F2-46-1303-55 |
| Wiley ID | 1713523 |