(2R)-2-[(3S)-4-[(4aR,5S,5aS,6R,8aS,9R,9aR)-3,6,9-trimethyl-4a,5,9a-tris(oxidanyl)-5a,6,7,8,8a,9-hexahydro-2H-cyclopenta[g]chromen-5-yl]-3-methyl-4-oxidanylidene-butyl]-3-methyl-2H-furan-5-one

Systemtic Name: (2R)-2-[(3S)-4-[(4aR,5S,5aS,6R,8aS,9R,9aR)-3,6,9-trimethyl-4a,5,9a-tris(oxidanyl)-5a,6,7,8,8a,9-hexahydro-2H-cyclopenta[g]chromen-5-yl]-3-methyl-4-oxidanylidene-butyl]-3-methyl-2H-furan-5-one Openeye Name: (2R)-2-[(3S)-4-[(4aR,5S,5aS,6R,8aS,9R,9aR)-4a,5,9a-trihydroxy-3,6,9-trimethyl-5a,6,7,8,8a,9-hexahydro-2H-cyclopenta[g]chromen-5-yl]-3-methyl-4-oxo-butyl]-3-methyl-2H-furan-5-one CAS Name: (2R)-2-[(3S)-4-[(4aR,5S,5aS,6R,8aS,9R,9aR)-4a,5,9a-trihydroxy-3,6,9-trimethyl-5a,6,7,8,8a,9-hexahydro-2H-cyclopenta[g][1]benzopyran-5-yl]-3-methyl-4-oxobutyl]-3-methyl-2H-furan-5-one IUPAC Name: (2R)-2-[(3S)-4-[(4aR,5S,5aS,6R,8aS,9R,9aR)-4a,5,9a-trihydroxy-3,6,9-trimethyl-5a,6,7,8,8a,9-hexahydro-2H-cyclopenta[g]chromen-5-yl]-3-methyl-4-oxobutyl]-3-methyl-2H-furan-5-one Traditional Name: (2R)-2-[(3S)-4-[(4aR,5S,5aS,6R,8aS,9R,9aR)-4a,5,9a-trihydroxy-3,6,9-trimethyl-5a,6,7,8,8a,9-hexahydro-2H-cyclopenta[g]chromen-5-yl]-4-keto-3-methyl-butyl]-3-methyl-2H-furan-5-one Formula: C25H36O7 MolecularWeight: 448.54914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C1C(C3(C=C(COC3(C2C)O)C)O)(C(=O)C(C)CCC4C(=CC(=O)O4)C)O

Isomeric SMILES

C[C@@H]1CC[C@H]2[C@H]1[C@]([C@@]3(C=C(CO[C@@]3([C@@H]2C)O)C)O)(C(=O)[C@@H](C)CC[C@@H]4C(=CC(=O)O4)C)O

InChI

InChI=1S/C25H36O7/c1-13-11-23(28)24(29,22(27)15(3)7-9-19-16(4)10-20(26)32-19)21-14(2)6-8-18(21)17(5)25(23,30)31-12-13/h10-11,14-15,17-19,21,28-30H,6-9,12H2,1-5H3/t14-,15+,17-,18-,19-,21+,23-,24-,25-/m1/s1