| SpectraBase Spectrum ID |
9HejJd1NsOi |
| Name |
5-Methyl 5-hydroxy-1,2,3,4,4A,9,10,10A-octahydroxy-1,1,4A.beta.-trimethyl-6-phenanthroate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.188194694 u |
| Formula |
C19H26O3 |
| InChI |
InChI=1S/C19H26O3/c1-18(2)10-5-11-19(3)14(18)9-7-12-6-8-13(17(21)22-4)16(20)15(12)19/h6,8,14,20H,5,7,9-11H2,1-4H3/t14?,19-/m0/s1 |
| InChIKey |
RVRLZDIUCGELKP-PKDNWHCCSA-N |
| SMILES |
[C@]12(C=3C(=C(C(=O)OC)C=CC3CCC1C(C)(C)CCC2)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88803 |
