| SpectraBase Spectrum ID |
KKpqhcH3po8 |
| Name |
(1R,3S,4S,5S,7R,9R,10R,11R)-1,7,9-Tri-p-nitrobenzoyloxylongipinane |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H35N3O12 |
| InChI |
InChI=1S/C36H35N3O12/c1-19-17-26(49-32(40)20-5-11-23(12-6-20)37(43)44)30-31-29(19)36(30,4)28(51-34(42)22-9-15-25(16-10-22)39(47)48)18-27(35(31,2)3)50-33(41)21-7-13-24(14-8-21)38(45)46/h5-16,19,26-31H,17-18H2,1-4H3/t19-,26+,27+,28+,29-,30+,31-,36+/m0/s1 |
| InChIKey |
MYVNOJLFDRJHNJ-YFAQHYRXSA-N |
| Instrument Name |
Hewlett-Packard 5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020158s |
| Molecular Weight |
701.685 g/mol |
| Optical Rotation |
[a]D = -62 (589 nm), -65 (578 nm), -76 (546 nm), -136 (436 nm) (c = 0.16, CHCl3) |
| Reported Formula |
C36H35O12N3 |
| SMILES |
[C@@]1(OC(c2ccc(cc2)[N+]([O-])=O)=O)([C@@]2([H])[C@]3(C)[C@@](C[C@@](OC(c4ccc(cc4)[N+]([O-])=O)=O)(C(C)(C)[C@@]2([H])[C@]3([H])[C@@](C)(C1)[H])[H])(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])[H] |
| SPLASH |
splash10-0udi-1952000000-aa1d3b7ea82fb60b701c |
| Source of Spectrum |
G4-65-1408-30 |
| Wiley ID |
1883390 |
