| SpectraBase Spectrum ID |
AaMaBvzANRB |
| Name |
Methyl ester of 11.alpha.-hydroxyatisirn-20-acid |
| Alternate Name(s) |
Methyl (8alpha,12alpha)-11-hydroxyatis-16-en-20-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13-12-20-10-6-14(13)16(22)17(20)21(18(23)24-4)9-5-8-19(2,3)15(21)7-11-20/h14-17,22H,1,5-12H2,2-4H3/t14-,15-,16?,17-,20-,21-/m1/s1 |
| InChIKey |
BAXQOWSPPJQHLJ-DTHKDCLOSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
OC1[C@]2([C@@]3([C@@](C(C)(C)CCC3)(CC[C@]22CC([C@]1(CC2)[H])=C)[H])C(=O)OC)[H] |
| SPLASH |
splash10-001i-0009000000-76e992ddbb1a88a3a953 |
| Source of Spectrum |
K-111-1513-0 |
| Wiley ID |
1329767 |
