| SpectraBase Spectrum ID |
A2A22QkOwd0 |
| Name |
Naphtho[1,2-B]furan-2,6(3H,4H)-dione, 5-(acetyloxy)-3A,5,5A,7,9A,9B-hexahydro-3,5A,9-trimethyl-, [3S-(3.alpha.,3A.alpha.,5.beta.,5A.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 |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)13(21-10(3)18)7-11-9(2)16(20)22-15(11)14(8)17/h5,9,11,13-15H,6-7H2,1-4H3/t9-,11-,13-,14+,15-,17+/m0/s1 |
| InChIKey |
CGTGRRORNBUCOK-JFUKITJISA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
[C@]12([C@@]([C@]3(OC(=O)[C@]([C@@]3(C[C@@]2(OC(=O)C)[H])[H])(C)[H])[H])(C(C)=CCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89259 |
![Naphtho[1,2-b]furan-2,6(3H,4H)-dione, 5-(acetyloxy)-3a,5,5a,7,9a,9b-hexahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5.beta.,5a.beta.,9a.alpha.,9b.beta.)]-](/api/spectrum/A2A22QkOwd0/structure.png?h=300&w=458 "Naphtho[1,2-b]furan-2,6(3H,4H)-dione, 5-(acetyloxy)-3a,5,5a,7,9a,9b-hexahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5.beta.,5a.beta.,9a.alpha.,9b.beta.)]-")
