| SpectraBase Spectrum ID |
HvYgcU1cDlo |
| Name |
1-Phenanthrenemethanol, dodecahydro-2,9-dihydroxy-7-(2-hydroxyethylidene)-1,4A,8-trimethyl-, [1S-(1.alpha.,2.alpha.,4A.alpha.,4B.beta.,7E,8.beta.,8A.alpha.,9.alpha.,10A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-12-13(7-9-21)4-5-14-18(12)15(23)10-16-19(14,2)8-6-17(24)20(16,3)11-22/h7,12,14-18,21-24H,4-6,8-11H2,1-3H3/b13-7+/t12-,14-,15-,16+,17-,18-,19+,20+/m0/s1 |
| InChIKey |
LXFFRLDFASJTLQ-ILTBEYAVSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
[C@@]12([C@]([C@](CO)(C)[C@](CC2)(O)[H])(C[C@@]([C@@]2([C@@]1(CC\C(=C/CO)[C@@]2(C)[H])[H])[H])(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866047 |
![1-Phenanthrenemethanol, dodecahydro-2,9-dihydroxy-7-(2-hydroxyethylidene)-1,4a,8-trimethyl-, [1S-(1.alpha.,2.alpha.,4a.alpha.,4b.beta.,7E,8.beta.,8a.alpha.,9.alpha.,10a.beta.)]-](/api/spectrum/HvYgcU1cDlo/structure.png?h=300&w=458 "1-Phenanthrenemethanol, dodecahydro-2,9-dihydroxy-7-(2-hydroxyethylidene)-1,4a,8-trimethyl-, [1S-(1.alpha.,2.alpha.,4a.alpha.,4b.beta.,7E,8.beta.,8a.alpha.,9.alpha.,10a.beta.)]-")
