| SpectraBase Spectrum ID |
56GoSMpe4eA |
| Name |
(3R,4as,12Ar)-3-isopropenyl-8-methoxy-12A-methyl-3,4,4A,5,6,11,12,12A-octahydro-1(2H)-chrysenone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.208930140 u |
| Formula |
C23H28O2 |
| InChI |
InChI=1S/C23H28O2/c1-14(2)16-12-21-20-7-5-15-11-17(25-4)6-8-18(15)19(20)9-10-23(21,3)22(24)13-16/h6,8,11,16,21H,1,5,7,9-10,12-13H2,2-4H3/t16-,21+,23-/m1/s1 |
| InChIKey |
QVOGUSAHASBQFQ-XORNHQRDSA-N |
| Molecular Weight |
336.475 g/mol |
| SMILES |
C=12[C@]3([C@@](C(=O)C[C@@](C3)(C(=C)C)[H])(C)CCC1C=1C=CC(=CC1CC2)OC)[H] |
