| SpectraBase Spectrum ID |
9Y1zXvg2aED |
| Name |
8.alpha.-((2'R,3'R)-2',3'-Epoxy-2'-methylbutyryloxy)-9.alpha.-hydroxy-1.alpha.-methoxy-1,10.alpha.-dihydromontahibisciolide |
| Appearance |
gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O7 |
| InChI |
InChI=1S/C21H30O7/c1-9-7-8-13(25-6)11(3)21(24)15(9)16-14(10(2)18(22)26-16)17(21)27-19(23)20(5)12(4)28-20/h10-17,24H,1,7-8H2,2-6H3/t10-,11+,12-,13+,14+,15+,16-,17-,20-,21+/m1/s1 |
| InChIKey |
SPEMCSKGICNUDT-NGBGBTQPSA-N |
| Instrument Name |
Finnigan MAT 8200 or Finnigan TSQ 7000 or Agilent 5890 series GC-5973 Network MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np034072q |
| Molecular Weight |
394.464 g/mol |
| Optical Rotation |
[a]D20 = +18 (c = 0.041, MeOH) |
| Reported Formula |
C21H30O7 |
| SMILES |
O[C@@]12[C@]([C@](CCC([C@]1([C@@]1(OC([C@@]([C@@]1([C@]2(OC(=O)[C@]1(C)O[C@@]1(C)[H])[H])[H])(C)[H])=O)[H])[H])=C)(OC)[H])(C)[H] |
| SPLASH |
splash10-059y-9220000000-5e2270a58056e5c6cf37 |
| Source of Spectrum |
G4-67-629-7 |
| Wiley ID |
1881770 |
