| SpectraBase Spectrum ID |
BKOnVgaBAY8 |
| Name |
4(S*)-acetoxy-5,10-dioxo,1(S*),12(S*)-neolemna-2Z,8-diene |
| Alternate Name(s) |
Laevinone A |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-10-9-17(4)11(2)7-14(19)8-13(17)5-6-15(20)16(10)21-12(3)18/h8-9,11,16H,5-7H2,1-4H3/b10-9-/t11-,16-,17+/m0/s1 |
| InChIKey |
HAKXFVQZZGAKIY-JMFGWXFPSA-N |
| Instrument Name |
JEOL JMS-SX/SX 102A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050326r |
| Molecular Weight |
290.359 g/mol |
| Optical Rotation |
[a]D25 = +165 (c = 0.4, CHCl3) |
| Reported Formula |
C17H22O4 |
| SMILES |
C1(C=C2[C@]([C@](C1)(C)[H])(C)\C=C/([C@@](C(CC2)=O)(OC(C)=O)[H])C)=O |
| SPLASH |
splash10-0006-9120000000-c3cfb8f9fa3403c5dbd0 |
| Source of Spectrum |
G4-68-1752-9 |
| Wiley ID |
1879499 |
