Description
IUPAC Name: [(1R)-2-hydroxy-1-[(1S,2R,4S,6S,8R,12S,13S,14S,19R)-12-hydroxy-1,2,8,14,18,18-hexamethyl-17-oxo-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-6-yl]-2-methylpropyl] acetate
InChI: InChI=1S/C32H50O6/c1-17-14-21(27(29(5,6)36)37-18(2)33)38-22-16-32(9)19(25(17)22)15-20(34)26-30(7)12-11-24(35)28(3,4)23(30)10-13-31(26,32)8/h17,20-23,26-27,34,36H,10-16H2,1-9H3/t17-,20+,21+,22+,23+,26+,27-,30+,31+,32+/m1/s1
InChIKey: KFWYQAKZMXFEFB-XKFNBYHKSA-N
Canonical SMILES: CC1CC(OC2C1=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(C2)C)C)(C)C)C)O)C(C(C)(C)O)OC(=O)C
Isomeric SMILES: C[C@@H]1C[C@H](O[C@@H]2C1=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C2)C)C)(C)C)C)O)[C@H](C(C)(C)O)OC(=O)C
Synonyms: Alisol F 24-acetate; 443683-76-9; CHEMBL3121590; BDBM50528863; AKOS032946078; HY-107315; CS-0027975; (24R)-24-acetoxy-11beta, 25-dihydroxy-16beta,23beta-epoxyprotost-13(17)-en-3-one; …
Botanical Source: Alisma orientale(Sam.) Juzep.