| SpectraBase Spectrum ID |
COCd8cRgtM1 |
| Name |
4-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]-2H-furan-5-one |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O3 |
| InChI |
InChI=1S/C20H32O3/c1-14-6-7-16-18(2,3)10-5-11-19(16,4)20(14,22)12-8-15-9-13-23-17(15)21/h9,14,16,22H,5-8,10-13H2,1-4H3/t14-,16+,19+,20-/m1/s1 |
| InChIKey |
CBDXCUYKDIXPFD-MWHZBGGUSA-N |
| Instrument Name |
MSI-Autoconcept |
| Ionization Type |
EI positive |
| Literature Reference DOI |
10.1021/np400002p |
| Molecular Weight |
320.473 g/mol |
| Optical Rotation |
[a]25D = +14.0 (c = 1.1, acetone) |
| Reported Formula |
C20H32O3 |
| SMILES |
O[C@]1([C@]2(CCCC([C@@]2(CC[C@]1(C)[H])[H])(C)C)C)CCC1=CCOC1=O |
| SPLASH |
splash10-001i-3900000000-b392e6fbd754b3add583 |
| Source of Spectrum |
G4-76-SM5-1 |
| Wiley ID |
1865645 |
