| SpectraBase Spectrum ID |
EsIGKselYWs |
| Name |
Sibiricinone B |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O5 |
| InChI |
InChI=1S/C20H28O5/c1-11-13(7-6-12-10-14(21)25-18(12)24)20(4)9-5-8-19(2,3)17(20)16(23)15(11)22/h10,16-18,23-24H,5-9H2,1-4H3/t16-,17+,18?,20-/m1/s1 |
| InChIKey |
XMFSQKSJFSGAHJ-NHJHPMQKSA-N |
| Instrument Name |
Micromass 70-250S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030480i |
| Molecular Weight |
348.439 g/mol |
| Optical Rotation |
[a]D20 = +4.4 (c = 0.18, CHCl3) |
| Reported Formula |
C20H28O5 |
| SMILES |
OC1C(CCC2=C(C([C@]([C@]3(C(CCC[C@]23C)(C)C)[H])(O)[H])=O)C)=CC(O1)=O |
| SPLASH |
splash10-0a4i-9320000000-b56ac144ba3c625c5420 |
| Source of Spectrum |
G4-67-716-2 |
| Wiley ID |
1881733 |
