| SpectraBase Spectrum ID |
4nEbIckZu1h |
| Name |
(1R,3R,4S,5S,7S,8R,9S,10R,11R)-7,8,9-Triacetyloxylongipinan-1-ol |
| Appearance |
White needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O7 |
| InChI |
InChI=1S/C21H32O7/c1-9-8-13(25)15-16-14(9)21(15,7)19(28-12(4)24)17(26-10(2)22)18(20(16,5)6)27-11(3)23/h9,13-19,25H,8H2,1-7H3/t9?,13-,14+,15+,16-,17-,18-,19-,21+/m1/s1 |
| InChIKey |
DFBRMSUZYLADCT-MZGJFPHTSA-N |
| Instrument Name |
Hewlett-Packard 5989A or Hewlett Packard 5989B or Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0201570 |
| Molecular Weight |
396.480 g/mol |
| Optical Rotation |
[a]D = -5 (589 nm), -5 (578 nm), -6 (546 nm), -8 (436 nm), -12 (365 nm) (c = 0.18, CHCl3) |
| SMILES |
O[C@]1([C@@]2([C@]3([C@@]([C@@]([C@](C([C@@]2([C@@]3(C(C1)C)[H])[H])(C)C)(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])C)[H])[H] |
| SPLASH |
splash10-00lv-4490000000-3ce852a072fab57a79ae |
| Source of Spectrum |
G4-65-1544-6 |
| Wiley ID |
1883481 |
