| SpectraBase Spectrum ID |
58AE8C76nIJ |
| Name |
(1R,3S,4S,5S,7R,9R,10S,11S)-7-Acetyloxy-9,11-dihydroxyuruapane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-8-6-10-14-13(8)17(5,15(10)20)11(19)7-12(16(14,3)4)21-9(2)18/h8,10-15,19-20H,6-7H2,1-5H3/t8-,10+,11+,12+,13-,14+,15-,17+/m0/s1 |
| InChIKey |
HPEUTEVKRFVPNK-UNBUGJSHSA-N |
| Instrument Name |
Hewlett-Packard 5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020158s |
| Molecular Weight |
296.407 g/mol |
| Optical Rotation |
[a]D = +6 (589 nm), +8 (578 nm), +8 (546 nm), +8 (436 nm), +8 (365 nm) (c = 0.05, CHCl3) |
| Reported Formula |
C17H28O4 |
| SMILES |
O[C@@]1(C[C@](C([C@]2([C@@]3([C@](C[C@]2([C@@]([C@]13C)(O)[H])[H])(C)[H])[H])[H])(C)C)(OC(C)=O)[H])[H] |
| SPLASH |
splash10-00dr-3940000000-657593dbe3bbe5c47aba |
| Source of Spectrum |
G4-65-1408-29 |
| Wiley ID |
1883389 |
