| SpectraBase Spectrum ID |
J63KMiy2H6T |
| Name |
Naphtho[1,2-C]furan-6-carboxylic acid, dodecahydro-5-hydroxy-6,9A-dimethyl-3,9-dioxo-, methyl ester, [3ar-(3A.alpha.,5.alpha.,5A.beta.,6.beta.,9A.alpha.,9B.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.141638422 u |
| Formula |
C16H22O6 |
| InChI |
InChI=1S/C16H22O6/c1-15(14(20)21-3)5-4-11(18)16(2)9-7-22-13(19)8(9)6-10(17)12(15)16/h8-10,12,17H,4-7H2,1-3H3/t8-,9+,10-,12+,15-,16+/m1/s1 |
| InChIKey |
UXTUBWFXVOSNBB-ZQVFWPKPSA-N |
| Molecular Weight |
310.346 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)OC)(C)CCC2=O)([C@](O)(C[C@@]2([C@@]1(COC2=O)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918328 |
![Naphtho[1,2-c]furan-6-carboxylic acid, dodecahydro-5-hydroxy-6,9a-dimethyl-3,9-dioxo-, methyl ester, [3aR-(3a.alpha.,5.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-](/api/spectrum/J63KMiy2H6T/structure.png?h=300&w=458 "Naphtho[1,2-c]furan-6-carboxylic acid, dodecahydro-5-hydroxy-6,9a-dimethyl-3,9-dioxo-, methyl ester, [3aR-(3a.alpha.,5.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-")
