| SpectraBase Spectrum ID |
1rfh5u7z3Pe |
| Name |
Pongapinone B |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.157288487 u |
| Formula |
C23H24O6 |
| InChI |
InChI=1S/C23H24O6/c1-13(2)5-7-15-19(25-3)11-21(26-4)22-16(24)10-18(29-23(15)22)14-6-8-17-20(9-14)28-12-27-17/h5-6,8-9,11,18H,7,10,12H2,1-4H3/t18-/m0/s1 |
| InChIKey |
QNKSZZRDFRCBNL-SFHVURJKSA-N |
| Molecular Weight |
396.439 g/mol |
| SMILES |
C=12C(C(=O)C[C@](O2)(C2=CC=3OCOC3C=C2)[H])=C(OC)C=C(C1CC=C(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829113 |
