| SpectraBase Spectrum ID |
5Hwn6wpuHKK |
| Name |
Cespitulactam H |
| Appearance |
Colorless, amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31NO2 |
| InChI |
InChI=1S/C21H31NO2/c1-13-6-7-15-8-9-17-19(21(15,3)4)18(22(5)20(17)24)12-14(2)11-16(23)10-13/h11,15-16,18,23H,1,6-10,12H2,2-5H3/b14-11+/t15-,16+,18-/m1/s1 |
| InChIKey |
FAECNZSNKREOBT-RRXMBOSASA-N |
| Instrument Name |
VG Quattro 5022 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np078011u |
| Molecular Weight |
329.484 g/mol |
| Optical Rotation |
[a]D25 = -112 (c = 0.7, CH2Cl2) |
| Reported Formula |
C21H31NO2 |
| SMILES |
O[C@@]1(\C=C\(C[C@]2(N(C(C3=C2C([C@@](CC3)(CCC(C1)=C)[H])(C)C)=O)C)[H])C)[H] |
| SPLASH |
splash10-000x-2900000000-4895d9dee7cf17699aa5 |
| Source of Spectrum |
G4-70-1965-5 |
| Wiley ID |
1874378 |
