| SpectraBase Spectrum ID |
1c1Bm5sR4D4 |
| Name |
(+)-Polyanthellin A |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-13(2)15-8-11-21(5,25-14(3)23)18-16-12-20(4)9-7-10-22(6,26-20)19(24-16)17(15)18/h13,15-19H,7-12H2,1-6H3/t15-,16-,17-,18-,19-,20+,21-,22-/m1/s1 |
| InChIKey |
XBXWRLRZRQRZHE-UDWPLSEGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302542h |
| Molecular Weight |
364.526 g/mol |
| Optical Rotation |
[a]D24 = +9.0 (c = 0.40, CHCl3) |
| Reported Formula |
C22H36O4 |
| SMILES |
C1[C@@]([C@]2([C@@]([C@](C1)(C(C)C)[H])([C@]1(O[C@@]2(C[C@@]2(CCC[C@@]1(C)O2)C)[H])[H])[H])[H])(C)OC(C)=O |
| SPLASH |
splash10-0udi-0149000000-b05d1ab49b4cbc623596 |
| Source of Spectrum |
JOC-78-695-12 (DOI: 10.1021/jo302542h) |
| Thin-Layer Chromatography |
0.60 (petroleum ether/ethyl acetate, 4:1) |
| Wiley ID |
1911727 |
