Description
IUPAC Name: (1S,4S,8R,9R,12S,13S,14S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
InChI: InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,16-,19+,20+/m1/s1
InChIKey: WZYJEEIAFBHYJS-YXZSDFPZSA-N
Canonical SMILES: CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C
Isomeric SMILES: CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@H](C[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C
Synonyms: Epinodosin; 20086-60-6; CHEMBL1081333; SCHEMBL25383955; HY-N8658; AKOS040761687; DA-63229; CS-0148861
Botanical Source: