| SpectraBase Spectrum ID |
L8H85iO39TY |
| Name |
Coralloidin D |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-13-6-5-8-19(4)9-7-16(10-18(13)19)17(11-22-14(2)20)12-23-15(3)21/h5-12H2,1-4H3/t19-/m1/s1 |
| InChIKey |
RGGYMCUNYFNGLD-LJQANCHMSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C=12CC(=C(COC(=O)C)COC(=O)C)CC[C@]2(CCCC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966935 |
