| SpectraBase Spectrum ID |
DAi8nOJNQI0 |
| Name |
Methyl ent-8beta,13-dihydroxy-14,15,16,20-tetranorlabdan-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-16-9-5-10-17(2,15(20)21-3)14(16)8-7-13(19)12(16)6-4-11-18/h12-14,18-19H,4-11H2,1-3H3/t12-,13+,14+,16+,17-/m1/s1 |
| InChIKey |
WPVZSBWNBKARRV-UAHISNFZSA-N |
| SMILES |
C1C[C@@]2([C@@]([C@@](C1)(C(OC)=O)C)(CC[C@@]([C@]2(CCCO)[H])(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961716 |
