| SpectraBase Spectrum ID |
LeBIPauCZ2S |
| Name |
1-Phenanthreneacetic acid, tetradecahydro-4B,8,8,10A-tetramethyl-, methyl ester, (1.alpha.,4A.beta.,4B.alpha.,8A.beta.,10A.alpha.)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-19(2)11-7-12-21(4)16(19)10-13-20(3)15(14-18(22)23-5)8-6-9-17(20)21/h15-17H,6-14H2,1-5H3/t15-,16-,17-,20-,21-/m0/s1 |
| InChIKey |
KHOOCAHWXCXQJI-RNEDXHKXSA-N |
| Molecular Weight |
320.517 g/mol |
| SMILES |
[C@]12([C@@]3([C@@]([C@](CC(=O)OC)(CCC3)[H])(C)CC[C@]1(C(C)(C)CCC2)[H])[H])C |
