| SpectraBase Spectrum ID |
4rXEVld4C8S |
| Name |
(1R,3S,4S,5S,7R,9R,10R,11R)-9-Acetyloxy-1-hydroxy-7-p-nitrobenzoyloxylongipinane |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31NO7 |
| InChI |
InChI=1S/C24H31NO7/c1-12-10-16(27)20-21-19(12)24(20,5)18(31-13(2)26)11-17(23(21,3)4)32-22(28)14-6-8-15(9-7-14)25(29)30/h6-9,12,16-21,27H,10-11H2,1-5H3/t12-,16+,17+,18+,19-,20+,21-,24+/m0/s1 |
| InChIKey |
KNSRAUSWEDSZME-URVHMITNSA-N |
| Instrument Name |
Hewlett-Packard 5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020158s |
| Molecular Weight |
445.512 g/mol |
| Optical Rotation |
[a]D = -13 (589 nm), -13 (578 nm), -14 (546 nm), -22 (436 nm) (c = 0.13, CHCl3) |
| Reported Formula |
C24H31O7N |
| SMILES |
O[C@]1([C@@]2([H])[C@]3(C)[C@@](C[C@@](OC(=O)c4ccc(cc4)[N+]([O-])=O)(C(C)(C)[C@@]2([H])[C@]3([H])[C@@](C)(C1)[H])[H])(OC(C)=O)[H])[H] |
| SPLASH |
splash10-016r-7960000000-234d98bcd579db51cbf8 |
| Source of Spectrum |
G4-65-1409-38 |
| Wiley ID |
1883398 |
