| SpectraBase Spectrum ID |
1WLFMKfZjM |
| Name |
Dolabellanone 2 |
| Appearance |
White crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-13(2)21-17-9-7-14(3)18(24)10-8-15(4)20(26-16(5)23)12-22(17,6)11-19(21)25/h14,17,20H,4,7-12H2,1-3,5-6H3/t14-,17+,20-,22-/m0/s1 |
| InChIKey |
IXUCRSIQKBLIIL-RSGMMRJUSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100074r |
| Molecular Weight |
360.494 g/mol |
| Optical Rotation |
[a]D25 = +26.3 (c = 1.3, CHCl3) |
| Reported Formula |
C22H32O4 |
| SMILES |
[C@@]1(C(CCC([C@](C[C@]2([C@](CC1)(C(C(C2)=O)=C(C)C)[H])C)(OC(C)=O)[H])=C)=O)(C)[H] |
| SPLASH |
splash10-0udi-0904000000-4eb425035c0554733eac |
| Source of Spectrum |
G4-73-932-2 |
| Wiley ID |
1848966 |
