![[4AS-(4A-ALPHA,6A-BETA,7-ALPHA,10A-ALPHA,10B-BETA)]-DODECAHYDRO-7,10A-DIMETHYL-1H-NAPHTHO-[2,1-C]-PYRAN-7-CARBOXYLIC_ACID](/api/spectrum/2kZ81bPh8SQ/structure.png?h=300&w=458 "[4AS-(4A-ALPHA,6A-BETA,7-ALPHA,10A-ALPHA,10B-BETA)]-DODECAHYDRO-7,10A-DIMETHYL-1H-NAPHTHO-[2,1-C]-PYRAN-7-CARBOXYLIC_ACID")
| SpectraBase Compound ID | 6q2X2O2ZhuX |
|---|---|
| InChI | InChI=1S/C16H26O3/c1-15-7-3-8-16(2,14(17)18)13(15)5-4-11-10-19-9-6-12(11)15/h11-13H,3-10H2,1-2H3,(H,17,18)/t11-,12-,13+,15+,16+/m0/s1 |
| InChIKey | FWMMELFQSMHBLW-QZPUYBJASA-N |
| Mol Weight | 266.38 g/mol |
| Molecular Formula | C16H26O3 |
| Exact Mass | 266.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2kZ81bPh8SQ |
|---|---|
| Name | [ 4aS-( 4a.alpha.,6a.beta.,7.alpha.,10a.alpha.,10b.beta.)]-Dodecahydro-7,10a-dimethyl-1H-naphtho[2,1-c]pyran-7-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H26O3 |
| InChI | InChI=1S/C16H26O3/c1-15-7-3-8-16(2,14(17)18)13(15)5-4-11-10-19-9-6-12(11)15/h11-13H,3-10H2,1-2H3,(H,17,18)/t11-,12-,13+,15+,16+/m0/s1 |
| InChIKey | FWMMELFQSMHBLW-QZPUYBJASA-N |
| Molecular Weight | 266.381 g/mol |
| SMILES | OC([C@]1([C@]2([C@@]([C@@]3([C@@](CC2)(COCC3)[H])[H])(CCC1)C)[H])C)=O |
| SPLASH | splash10-01b9-0790000000-c764f613a0513d0ac513 |
| Source of Spectrum | AH-126-1120-20 |
| Synonyms | (4aS,4bR,8R,8aR,10aR)-4b,8-Dimethyl-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid (4aS,6aR,7S,10aR,10bS)-7,10a-dimethyldodecahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid (4aR,6aR,7R,10aR,10bS)-7,10a-dimethyl-2,4,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid (4aR,6aR,7R,10aR,10bS)-7,10a-dimethyl-2,4,4a,5,6,6a,8,9,10,10b-decahydro-1H-benzo[f]isochromene-7-carboxylic acid |
| Wiley ID | 1270412 |