| SpectraBase Spectrum ID |
6qDUQFyYbJx |
| Name |
[(1R,4aR,4bS,8aR,10aR)-1,4a,8-trimethyl-10-oxo-7-vinyl-3,4,4b,5,6,8a,9,10a-octahydro-2H-phenanthren-1-yl]methyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O3 |
| InChI |
InChI=1S/C22H32O3/c1-6-16-8-9-18-17(14(16)2)12-19(24)20-21(4,13-25-15(3)23)10-7-11-22(18,20)5/h6,17-18,20H,1,7-13H2,2-5H3/t17-,18-,20-,21-,22+/m0/s1 |
| InChIKey |
JYJGTUSFOKBNMA-OOOLTRJPSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np049890c |
| Molecular Weight |
344.495 g/mol |
| Optical Rotation |
[a]D24 = -36.5 (c = 0.23, CHCl3) |
| Reported Formula |
C22H23O3 |
| SMILES |
C1C[C@]2([C@]([C@@](C1)(COC(=O)C)C)(C(C[C@@]1([C@@]2(CCC(=C1C)C=C)[H])[H])=O)[H])C |
| SPLASH |
splash10-060a-0940000000-81935515be1d6dfa5e98 |
| Source of Spectrum |
G4-67-1714-12 |
| Wiley ID |
1881557 |
