| SpectraBase Spectrum ID |
2ISB5sHU6S |
| Name |
(3R,4S,5S,6S,9R,10R,11R)-9-Angeloyloxy-13-hydroxylongipinan-1-one |
| Appearance |
White prisms |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-6-11(2)18(23)24-14-7-8-19(4,10-21)17-15-12(3)9-13(22)16(17)20(14,15)5/h6,12,14-17,21H,7-10H2,1-5H3/b11-6-/t12-,14?,15+,16-,17+,19-,20-/m1/s1 |
| InChIKey |
CHCOGGDRWUVHCX-BOOVYVPNSA-N |
| Instrument Name |
Varian Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c01160 |
| Molecular Weight |
334.456 g/mol |
| Optical Rotation |
[a] = -29 (589 nm), -30 (578 nm), -35 (546 nm), -68 (436 nm), -142 (365 nm) (c = 1.5, CHCl3) |
| Reported Formula |
C20H30O4 |
| SMILES |
OC[C@]1(CCC([C@]2([C@@]3(C(C[C@]([C@]2([C@]13[H])[H])(C)[H])=O)[H])C)OC(\C(=C/C)C)=O)C |
| SPLASH |
splash10-0api-9110000000-6caf741bd17f2bc58275 |
| Source of Spectrum |
G4-84-1093-2 |
| Wiley ID |
1884135 |
