| SpectraBase Spectrum ID |
8giIPfk027J |
| Name |
Secopachyclavulariaenone A |
| Alternate Name(s) |
(2E)-3-[(2S,2aS,5aR,6R,9S,9aS,9bR)-3,6,9-trimethyl-5-oxo-2-(2-oxopropyl)-2a,5,5a,6,7,9,9a,9b-octahydro-2H-furo[2,3,4-ef][3]benzoxepin-9-yl]-2-propenal |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-11-8-14(23)16-12(2)10-24-20(4,6-5-7-21)19-18(16)17(11)15(25-19)9-13(3)22/h5-8,12,15-19H,9-10H2,1-4H3/b6-5+/t12-,15-,16-,17-,18-,19-,20-/m0/s1 |
| InChIKey |
SPGKLZOENIXNTQ-SUPQLNTRSA-N |
| Molecular Weight |
346.423 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](C(C)=CC([C@@]3([C@@](C)(CO[C@]1(\C=C\C=O)C)[H])[H])=O)([H])[C@@](O2)(CC(=O)C)[H])[H])[H] |
| SPLASH |
splash10-00li-0059000000-e81e7b809d294557e4c3 |
| Source of Spectrum |
KC-57-7647-7 |
| Wiley ID |
1625592 |
