| SpectraBase Spectrum ID |
2z0QFEqDOuu |
| Name |
(7R,10S,13R,14R,15S)-7-Carboxy-15-methoxy-17-nor-5,6-secospongian |
| Alternate Name(s) |
(2R)-2-[(3aR,7aR)-3-methoxy-5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,6,7,7a-hexahydroisobenzofuran-4-yl]propanoic acid
(2R)-2-[(3aR,7aR)-3-methoxy-5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,6,7,7a-hexahydro-2-benzofuran-4-yl]propanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-13(18(22)23)16-15(21(4)10-6-9-20(2,3)12-21)8-7-14-11-25-19(24-5)17(14)16/h13-14,17,19H,6-12H2,1-5H3,(H,22,23)/t13-,14+,17-,19?,21+/m1/s1 |
| InChIKey |
ZACQAWRFBSMZEU-DXDJRKAASA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
OC([C@@](C1=C([C@@]2(CC(C)(C)CCC2)C)CC[C@@]2([C@]1(C(OC2)OC)[H])[H])(C)[H])=O |
| SPLASH |
splash10-0gb9-9540000000-9eb0bb585f66c0d582bf |
| Source of Spectrum |
KC-60-1077-7 |
| Wiley ID |
1583232 |
