| SpectraBase Compound ID | TW4FzhTi1e |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-7-14(2)8-10-17-15(3)9-11-18-20(17,4)12-16(22)13-21(18,5)19(23)24-6/h7-8,16-18,22H,1,3,9-13H2,2,4-6H3/b14-8+/t16-,17+,18-,20-,21-/m1/s1 |
| InChIKey | LZXFMXAQLYNMRU-UTYRKZDISA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3vYtM8g5BI |
|---|---|
| Name | Methyl 2.alpha.-hydroxy-Labda-8(17),12E,14-trien-18-oate |
| Alternate Name(s) | (1R,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid methyl ester Methyl (1R,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate Methyl (1R,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]decalin-1-carboxylate Methyl (1R,3R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3-oxidanyl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-7-14(2)8-10-17-15(3)9-11-18-20(17,4)12-16(22)13-21(18,5)19(23)24-6/h7-8,16-18,22H,1,3,9-13H2,2,4-6H3/b14-8+/t16-,17+,18-,20-,21-/m1/s1 |
| InChIKey | LZXFMXAQLYNMRU-UTYRKZDISA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | O[C@@]1(C[C@]2([C@]([C@](C(=O)OC)(C1)C)(CCC([C@@]2(C\C=C\(C=C)C)[H])=C)[H])C)[H] |
| SPLASH | splash10-0a4i-4910000000-0fdcd82386cfddab0515 |
| Source of Spectrum | G4-70-295-7 |
| Wiley ID | 1694875 |