| SpectraBase Spectrum ID |
HKpktCUCJM2 |
| Name |
1-Phenanthrenecarboxylic acid, 1,2,3,4,4A,4B,5,6,8A,9,10,10A-dodecahydro-8A-hydroxy-1,4A-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4A.beta.,4B.alpha.,8A.alpha.,10A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-14(2)15-7-8-17-19(3)10-6-11-20(4,18(22)24-5)16(19)9-12-21(17,23)13-15/h13-14,16-17,23H,6-12H2,1-5H3/t16-,17-,19+,20-,21+/m1/s1 |
| InChIKey |
JRDRKXKZVRLHLY-SYGLAOGMSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CC[C@]2([C@@]1(CCC(C(C)C)=C2)[H])O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862694 |
![1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-](/api/spectrum/HKpktCUCJM2/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-")
