| SpectraBase Compound ID | 32wjsxt0go5 |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1 |
| InChIKey | IGUDTNVZIOWVIV-DUXKGJEZSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | mRcj1CIVAN |
|---|---|
| Name | 15-Hydroxydehydroabietic acid, methyl ester |
| Alternate Name(s) | (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl 15-hydroxyabieta-9(11),8(14),12-trien-18-oate |
| CAS Registry Number | 29461-23-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-,21-/m1/s1 |
| InChIKey | IGUDTNVZIOWVIV-DUXKGJEZSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | OC(c1ccc2[C@@]3([C@]([C@@](C(=O)OC)(C)CCC3)(CCc2c1)[H])C)(C)C |
| SPLASH | splash10-066r-0049000000-0086e81481479628046b |
| Source of Spectrum | U-1992-916-6 |
| Wiley ID | 764426 |