| SpectraBase Spectrum ID |
CcJUMI65QN6 |
| Name |
[1S-(1.alpha.,4a.alpha.,9.beta.,10a.beta.)] - 1,2,3,4,4a,9,10,10a - octahydro - 9 - hydroxy - 1,4a - dimethyl - 7 - (1-methylethyl) - 1 - phenanthrene - carboxylic acid, methyl ester |
| Alternate Name(s) |
Methyl (4alpha,7alpha)-7-hydroxyabieta-8,11,13-trien-18-oate
Methyl 7.beta.-hydroxy-dehydro-abietate |
| CAS Registry Number |
68331-03-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,17-18,22H,6,9-10,12H2,1-5H3/t17-,18-,20-,21+/m1/s1 |
| InChIKey |
HWUVPJJFVCOYPE-UKAVVXHISA-N |
| Molecular Weight |
330.468 g/mol |
| SMILES |
O[C@]1(c2cc(C(C)C)ccc2[C@@]2([C@]([C@@](C(=O)OC)(CCC2)C)(C1)[H])C)[H] |
| SPLASH |
splash10-01p9-0694000000-77333dd5a32cb9d2fcb8 |
| Source of Spectrum |
Va-0-0-0 |
| Wiley ID |
739898 |
![[1S-(1.alpha.,4a.alpha.,9.beta.,10a.beta.)] - 1,2,3,4,4a,9,10,10a - octahydro - 9 - hydroxy - 1,4a - dimethyl - 7 - (1-methylethyl) - 1 - phenanthrene - carboxylic acid, methyl ester](/api/spectrum/CcJUMI65QN6/structure.png?h=300&w=458 "[1S-(1.alpha.,4a.alpha.,9.beta.,10a.beta.)] - 1,2,3,4,4a,9,10,10a - octahydro - 9 - hydroxy - 1,4a - dimethyl - 7 - (1-methylethyl) - 1 - phenanthrene - carboxylic acid, methyl ester")
