| SpectraBase Spectrum ID |
94w0cO3lSzg |
| Name |
Methyl 11R-acetoxy-2-oxoneocleroda-3,13E-dien-15-oate |
| Alternate Name(s) |
Plectrornatin A
11R-Acetoxy-2-oxokolavenic acid methyl ester |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-14(11-21(26)27-7)10-20(28-17(4)24)23(6)15(2)8-9-22(5)16(3)12-18(25)13-19(22)23/h11-12,15,19-20H,8-10,13H2,1-7H3/b14-11+/t15-,19+,20-,22+,23+/m1/s1 |
| InChIKey |
DFFCAAPJUPLECN-XOHWVXQESA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np020203w |
| Molecular Weight |
390.520 g/mol |
| Optical Rotation |
[a]D22 = -60.9 (c = 0.651, CHCl3) |
| SMILES |
C1(C[C@]2([C@](C(=C1)C)(CC[C@]([C@]2(C)[C@@](C\C(=C\C(OC)=O)C)(OC(C)=O)[H])(C)[H])C)[H])=O |
| SPLASH |
splash10-0a4u-5930000000-d709e192e9a755843fd2 |
| Source of Spectrum |
G4-65-1389-1 |
| Wiley ID |
1883415 |
