| SpectraBase Spectrum ID |
JkbeqYDEFhb |
| Name |
(1R,3S,4S,5S,7R,9R,10R,11R)-1,9-Dihydroxy-7-p-nitrobenzoyloxylongipinane |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29NO6 |
| InChI |
InChI=1S/C22H29NO6/c1-11-9-14(24)18-19-17(11)22(18,4)15(25)10-16(21(19,2)3)29-20(26)12-5-7-13(8-6-12)23(27)28/h5-8,11,14-19,24-25H,9-10H2,1-4H3/t11-,14+,15+,16+,17-,18+,19-,22+/m0/s1 |
| InChIKey |
IXVGZOQTPXFGMC-VHEBEGEKSA-N |
| Instrument Name |
Hewlett-Packard 5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020158s |
| Molecular Weight |
403.475 g/mol |
| Optical Rotation |
[a]D = +10 (589 nm), +10 (578 nm), +13 (546 nm), +29 (436 nm) (c = 0.16, CHCl3) |
| Reported Formula |
C22H29O6N |
| SMILES |
O[C@]1([C@]2([C@@]3([C@@](C[C@](C([C@]2([C@@]3([C@](C1)(C)[H])[H])[H])(C)C)(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])(O)[H])C)[H])[H] |
| SPLASH |
splash10-0l0j-5920000000-147273cf31b6d169fe9a |
| Source of Spectrum |
G4-65-1409-35 |
| Wiley ID |
1883395 |
