| SpectraBase Spectrum ID |
5GjD5b6Gbxx |
| Name |
(2-beta,5-beta,10-alpha,13-alpha)-2-Hydroxypimara-9(11),15-dien-12-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-6-19(4)10-13-7-8-16-18(2,3)11-14(21)12-20(16,5)15(13)9-17(19)22/h6,9,13-14,16,21H,1,7-8,10-12H2,2-5H3/t13-,14+,16+,19+,20-/m0/s1 |
| InChIKey |
CTACHEAWRLHXNH-LEBLXQRQSA-N |
| SMILES |
[C@@]1(CC(C)(C)[C@]2(CC[C@]3(C[C@@](C(C=C3[C@@]2(C1)C)=O)(C)C=C)[H])[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843332 |
