Molecule ID: 10343524

IUPAC Name: [(1R)-1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-6-[(2S)-2-methylbutanoyl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-4-yl]propyl] acetate

Description: The molecule is an acetate ester, a furanocoumarin, a member of phenols and a tertiary alcohol. It has a role as a metabolite and an antineoplastic agent.

SMILES: CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc([C@@H](CC)OC(C)=O)c3c1O)CC(C(C)(C)O)O2

SELFIES: [C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=Branch2][Ring1][=C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][N][C@@H1][Branch1][Ring1][C][C][O][C][Branch1][C][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C][O][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][O][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C24H30O8/c1-7-11(3)20(27)19-21(28)18-13(15(8-2)30-12(4)25)10-17(26)32-22(18)14-9-16(24(5,6)29)31-23(14)19/h10-11,15-16,28-29H,7-9H2,1-6H3/t11-,15+,16?/m0/s1

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 3.4