| SpectraBase Spectrum ID |
JGASlBTgcMU |
| Name |
(1.alpha.,4A.beta.,10A.alpha.)-2,2-Ethylenedioxy-6-methoxy-1,4A-dimethyl-1,2,3,4,4A,10A-hexahydrophenanthren-9(10H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.167459249 u |
| Formula |
C19H24O4 |
| InChI |
InChI=1S/C19H24O4/c1-10-14-8-16(20)13-6-5-12(21-4)7-15(13)19(14,3)9-17-18(10)23-11(2)22-17/h5-7,10-11,14,17-18H,8-9H2,1-4H3/t10-,11?,14-,17?,18?,19-/m0/s1 |
| InChIKey |
OJFNYDHTSQTZTF-QKZCWVRISA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
[C@@]12([C@]([C@](C)(C3C(C2)OC(C)O3)[H])(CC(C2=C1C=C(C=C2)OC)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958432 |
