Description
IUPAC Name: (1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
InChI: InChI=1S/C20H26O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,8-9,11-14,16,22-24,26-27H,5-6H2,1-3H3/t8-,9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1
InChIKey: PKICXNXDFYYYGH-QWRBDCSPSA-N
Canonical SMILES: CC1C(C2(C3C4(C(CC5C3(C1(C(C(=O)O5)O)O)CO2)C(=CC(=O)C4O)C)C)O)O
Isomeric SMILES: C[C@H]1[C@H]([C@]2([C@@H]3[C@@]4([C@@H](C[C@@H]5[C@]3([C@]1([C@H](C(=O)O5)O)O)CO2)C(=CC(=O)[C@H]4O)C)C)O)O
Synonyms: 13,21-dihydroeurycomanone; 129587-06-0; Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,14,15-pentahydroxy-, (1beta,11beta,12alpha,15beta)-; (1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-Pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione; CHEMBL3120500; DTXSID401312646; HY-N9320; AKOS040763829; …
Botanical Source: