| SpectraBase Spectrum ID |
AjGuPNwcS6q |
| Name |
2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (4aS-trans)- |
| Alternate Name(s) |
Methyl (4aS,10aS)-7-isopropyl-1,4a-dimethyl-3,4,4a,9,10,10a-hexahydro-2-phenanthrenecarboxylate
Methyl ester of 18-norabieta-3,8,11,13-tetraene-3-oic acid |
| CAS Registry Number |
80114-75-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-13(2)15-6-9-19-16(12-15)7-8-18-14(3)17(20(22)23-5)10-11-21(18,19)4/h6,9,12-13,18H,7-8,10-11H2,1-5H3/t18-,21-/m0/s1 |
| InChIKey |
LYLYPTOXQNTPJD-RXVVDRJESA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
[C@@]12([C@](C(C)=C(CC2)C(=O)OC)(CCc2c1ccc(C(C)C)c2)[H])C |
| SPLASH |
splash10-014i-1921000000-f91fba6640aa35eb5a58 |
| Source of Spectrum |
I-59-2682-0 |
| Wiley ID |
1313882 |
