| SpectraBase Spectrum ID |
6R43fmjWtdr |
| Name |
3.alpha.-Hydroxy-11.beta.,13-dihydrodeoxymikanolide |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O6 |
| InChI |
InChI=1S/C15H18O6/c1-6-12-9-3-7(14(18)19-9)8(16)4-11-15(2,21-11)5-10(12)20-13(6)17/h3,6,8-12,16H,4-5H2,1-2H3/t6-,8-,9-,10+,11-,12+,15+/m1/s1 |
| InChIKey |
ITFJPAQQKHMDBK-QEPGURRYSA-N |
| Instrument Name |
Micromass Platform EI 200 GC/MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np034027i |
| Molecular Weight |
294.303 g/mol |
| Optical Rotation |
[a]D24 = +113.2 (c = 0.1175, acetone) |
| Reported Formula |
C15H18O6 |
| SMILES |
O[C@]1(C2=C[C@]([C@]3([C@](C[C@]4([C@@](C1)(O4)[H])C)(OC([C@@]3(C)[H])=O)[H])[H])(OC2=O)[H])[H] |
| SPLASH |
splash10-03di-2910000000-a5579ef4255962551868 |
| Source of Spectrum |
G4-67-736-3 |
| Wiley ID |
1881753 |
