| SpectraBase Compound ID | DWy7dV0hw2T |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1 |
| InChIKey | QEAIMIKGLGBTSA-ADLFWFRXSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AXkIAjI4l3X |
|---|---|
| Name | Taxodone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,14,18,21,23H,6-8H2,1-5H3/t14-,18-,20+/m0/s1 |
| InChIKey | QEAIMIKGLGBTSA-ADLFWFRXSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@]1(C=C2C(=C(C(C(=C2)C(C)C)=O)O)[C@@]2([C@@]1(C(CCC2)(C)C)[H])C)[H] |
| SPLASH | splash10-01b9-0098000000-903ffecc6ce8d65f818a |
| Source of Spectrum | J-59-5452-1 |
| Synonyms | (+-)-Taxodone (4bS,8aS,9R)-4,9-Dihydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8,8a,9-hexahydro-4bH-phenanthren-3-one (6alpha)-6,11-dihydroxyabieta-7,9(11),13-trien-12-one (4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one (4bS,8aS,9S)-4b,8,8-trimethyl-4,9-bis(oxidanyl)-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one |
| Wiley ID | 1317109 |