| SpectraBase Spectrum ID |
CB5TN3IlA4H |
| Name |
(1R,3S,4S,5S,7R,9R,10R,11R)-9-Hydroxy-1,7-di-p-nitrobenzoyloxylongipinane |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H32N2O9 |
| InChI |
InChI=1S/C29H32N2O9/c1-15-13-20(39-26(33)16-5-9-18(10-6-16)30(35)36)24-25-23(15)29(24,4)21(32)14-22(28(25,2)3)40-27(34)17-7-11-19(12-8-17)31(37)38/h5-12,15,20-25,32H,13-14H2,1-4H3/t15-,20+,21+,22+,23-,24+,25-,29+/m0/s1 |
| InChIKey |
ILDJVJXDMHQEEZ-WWTLEIMYSA-N |
| Instrument Name |
Hewlett-Packard 5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020158s |
| Molecular Weight |
552.580 g/mol |
| Optical Rotation |
[a]D = -82 (589 nm), -86 (578 nm), -99 (546 nm), -190 (436 nm) (c = 0.16, CHCl3) |
| Reported Formula |
C29H32O9N2 |
| SMILES |
O[C@]1([C@]2([C@@]3([C@](OC(c4ccc(cc4)[N+]([O-])=O)=O)(C[C@@]([C@]2([C@@]3(C([C@@](C1)(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])(C)C)[H])[H])(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0umi-0920000000-826b678114f9f58e2d52 |
| Source of Spectrum |
G4-65-1408-33 |
| Wiley ID |
1883393 |
