| SpectraBase Spectrum ID |
2477YR1qaQv |
| Name |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4A,9,10,10A-octahydro-6-methoxy-1,4A-dimethyl-7-(1-methylethyl)-9-oxo-, [1S-(1.alpha.,4A.alpha.,10A.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.198759378 u |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-12(2)13-9-14-15(10-17(13)25-5)20(3)7-6-8-21(4,19(23)24)18(20)11-16(14)22/h9-10,12,18H,6-8,11H2,1-5H3,(H,23,24)/t18-,20-,21+/m1/s1 |
| InChIKey |
YVFSYJDQHUHIIL-NRSPTQNISA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
C=12[C@@]3([C@@]([C@](C(=O)O)(C)CCC3)([H])CC(C1C=C(C(=C2)OC)C(C)C)=O)C |
![1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-](/api/spectrum/2477YR1qaQv/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-9-oxo-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-")
