| SpectraBase Spectrum ID |
3gvTVHpZvKN |
| Name |
(4R,5R,7S,8R,9S,10S,11S)-7,9-Dihydroxy-8-tosyloxyjiquilp-3(12)-ene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O5S |
| InChI |
InChI=1S/C22H30O5S/c1-12-6-8-15(9-7-12)28(25,26)27-18-19(23)21(3,4)16-11-14-10-13(2)17(16)22(14,5)20(18)24/h6-9,14,16-20,23-24H,2,10-11H2,1,3-5H3/t14-,16-,17-,18+,19+,20-,22+/m0/s1 |
| InChIKey |
SSMVANUGSRGDHJ-NRIUDAAASA-N |
| Instrument Name |
Hewlett-Packard 5989A or Hewlett Packard 5989B or Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0201570 |
| Molecular Weight |
406.537 g/mol |
| Optical Rotation |
[a]D = +59 (589 nm), +59 (578), +70 (546 nm), +134 (436 nm), +224 (365 nm) (c = 0.14, CHCl3) |
| Reported Formula |
C22H30O5S |
| SMILES |
O[C@@]1([C@]2([C@@]3([C@@](C([C@@]([C@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(O)[H])(C)C)(C[C@@]2(CC3=C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-014j-2950000000-0bb92efed9f9c9a113f3 |
| Source of Spectrum |
G4-65-1545-13 |
| Wiley ID |
1883471 |
