| SpectraBase Spectrum ID |
1AeCdSZhLYk |
| Name |
(1R,3S,4S,5S,7R,9R,10R,11R)-7,9-Dihydroxy-1-p-nitrobenzoyloxylongipinane |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29NO6 |
| InChI |
InChI=1S/C22H29NO6/c1-11-9-14(29-20(26)12-5-7-13(8-6-12)23(27)28)18-19-17(11)22(18,4)16(25)10-15(24)21(19,2)3/h5-8,11,14-19,24-25H,9-10H2,1-4H3/t11-,14+,15+,16+,17-,18+,19-,22+/m0/s1 |
| InChIKey |
CRMJOLZOPUGJJR-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 = -35 (589 nm), -37 (578 nm), -43 (546 nm), -83 (436 nm) (c = 0.16, CHCl3) |
| Reported Formula |
C22H29O6N |
| SMILES |
O[C@]1(C([C@]2([C@@]3([C@](C[C@]([C@]2([C@@]3([C@@](C1)(O)[H])C)[H])(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])(C)[H])[H])[H])(C)C)[H] |
| SPLASH |
splash10-0ki2-6920000000-fa12c25576d971e5accf |
| Source of Spectrum |
G4-65-1409-34 |
| Wiley ID |
1883394 |
