| SpectraBase Spectrum ID |
8RKZRxYtQ8 |
| Name |
4,9-Phenanthrenediol, 7-ethenyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,1,4A,7-tetramethyl-, [4R-(4.alpha.,4A.alpha.,4B.beta.,7.beta.,9.beta.,10A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.240230268 u |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-6-19(4)10-7-14-13(12-19)15(21)11-16-18(2,3)9-8-17(22)20(14,16)5/h6,12,14-17,21-22H,1,7-11H2,2-5H3/t14-,15+,16-,17-,19-,20+/m1/s1 |
| InChIKey |
VSBFKAAGKLFVGQ-XTMWUNHTSA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
[C@@]12([C@]3(C(=C[C@@](CC3)(C=C)C)[C@](C[C@@]1(C(C)(C)CC[C@]2(O)[H])[H])(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885075 |
![4,9-Phenanthrenediol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4R-(4.alpha.,4a.alpha.,4b.beta.,7.beta.,9.beta.,10a.beta.)]-](/api/spectrum/8RKZRxYtQ8/structure.png?h=300&w=458 "4,9-Phenanthrenediol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4R-(4.alpha.,4a.alpha.,4b.beta.,7.beta.,9.beta.,10a.beta.)]-")
