| SpectraBase Spectrum ID |
79KK8WCZYn0 |
| Name |
cis-syn-cis-1,2Beta,3,4,4A,4B,5,6,10B,11,12,12A-dodecahydro-8-methoxy-4A,methyl-2-chrysenol, acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.219494823 u |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-14(23)25-18-10-11-22(2)16(13-18)5-7-20-19-8-6-17(24-3)12-15(19)4-9-21(20)22/h6,8,12,16,18,20-21H,4-5,7,9-11,13H2,1-3H3/t16-,18-,20+,21-,22+/m1/s1 |
| InChIKey |
BRJOQUPWWWJNNT-GBKCLDHKSA-N |
| Molecular Weight |
342.479 g/mol |
| SMILES |
CC(O[C@@]1(CC[C@]2([C@](CC[C@@]3([C@]2(CCC2=C3C=CC(=C2)OC)[H])[H])(C1)[H])C)[H])=O |
