| SpectraBase Spectrum ID |
AZO6wfapNFQ |
| Name |
6.alpha.-Hydroxy-8.alpha.-acetoxy-13,14,15,16-tetra-nor-labdan-12-oic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.209324061 u |
| Formula |
C18H30O5 |
| InChI |
InChI=1S/C18H30O5/c1-11(19)23-18(5)10-12(20)15-16(2,3)7-6-8-17(15,4)13(18)9-14(21)22/h12-13,15,20H,6-10H2,1-5H3,(H,21,22)/t12-,13?,15-,17+,18+/m0/s1 |
| InChIKey |
OSWSYDQFFDHNBY-DMWVAVJYSA-N |
| Molecular Weight |
326.433 g/mol |
| SMILES |
[C@@]12(C([C@@](OC(=O)C)(C)C[C@@]([C@]2(C(C)(C)CCC1)[H])(O)[H])CC(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806156 |
