| SpectraBase Spectrum ID |
5Yh3Pw7kxuV |
| Name |
(1'R*,4A'S*,10'S*,10A'R*)-1'-Ethyl-10'-hydroxy-7'-methoxy-3',4',4A',9',10',10A'-hexahydrospiro[1,3-dioxolane-2,2'(1'H)-phenanthrene] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-3-16-18-15(6-7-19(16)22-8-9-23-19)14-5-4-13(21-2)10-12(14)11-17(18)20/h4-5,10,15-18,20H,3,6-9,11H2,1-2H3/t15-,16-,17+,18-/m1/s1 |
| InChIKey |
NKFOYMDPIXDBEQ-ZJPYXAASSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
[C@]12([C@@]([C@@](O)(CC3=C2C=CC(OC)=C3)[H])([C@@](CC)(C2(CC1)OCCO2)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913355 |
![(1'R*,4a'S*,10'S*,10a'R*)-1'-Ethyl-10'-hydroxy-7'-methoxy-3',4',4a',9',10',10a'-hexahydrospiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]](/api/spectrum/5Yh3Pw7kxuV/structure.png?h=300&w=458 "(1'R*,4a'S*,10'S*,10a'R*)-1'-Ethyl-10'-hydroxy-7'-methoxy-3',4',4a',9',10',10a'-hexahydrospiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]")
