| SpectraBase Spectrum ID |
H9O2VtxY7oc |
| Name |
Cespitularin H |
| Appearance |
amorphous solid |
| 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/h5,12-13,16,18,22H,6-10H2,1-4H3/b11-5-/t12-,13+,16-,18-/m0/s1 |
| InChIKey |
AXOPQHQNFSMCKW-ZSEYTQBKSA-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 = -93.6 (c = 0.19, CHCl3) |
| Reported Formula |
C20H28O3 |
| SMILES |
O[C@@]1([C@]2(C(C3=C1CC[C@](C3(C)C)(C\C=C/(CC(C[C@@]2(C)[H])=O)C)[H])=O)[H])[H] |
| SPLASH |
splash10-014i-9220000000-dd78e94d43954a4f9719 |
| Source of Spectrum |
G4-65-1433-8 |
| Wiley ID |
1883363 |
