| SpectraBase Compound ID | 7N6ZrfS3EA2 |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-11-5-6-13-7-8-15-17(20(13,3)4)19(23)16(18(15)22)12(2)10-14(21)9-11/h10,13-14,16,18,21-22H,1,5-9H2,2-4H3/b12-10+/t13-,14?,16+,18+/m1/s1 |
| InChIKey | PYHGXJSOVZVBAF-MQZXTAGXSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5YP5cnfXkO |
|---|---|
| Name | Cespitularin F |
| Appearance | resinous oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-11-5-6-13-7-8-15-17(20(13,3)4)19(23)16(18(15)22)12(2)10-14(21)9-11/h10,13-14,16,18,21-22H,1,5-9H2,2-4H3/b12-10+/t13-,14?,16+,18+/m1/s1 |
| InChIKey | PYHGXJSOVZVBAF-MQZXTAGXSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020077w |
| Molecular Weight | 316.441 g/mol |
| Optical Rotation | [a]D25 = +39.8 (c = 0.21, CHCl3) |
| Reported Formula | C20H28O3 |
| SMILES | OC1CC(CC[C@@]2(CCC3=C(C([C@]([C@]3(O)[H])(\C(=C\1)C)[H])=O)C2(C)C)[H])=C |
| SPLASH | splash10-0007-6290000000-495127b9b34a356181d4 |
| Source of Spectrum | G4-65-1433-6 |
| Wiley ID | 1883361 |