(4aR,4bS,5S,6aS,7R,10aS,10bS,12R)-4a,6a-dimethyl-5,7,12-tris(oxidanyl)-7-(2-oxidanylethanoyl)-3,4,4b,5,6,8,9,10,10a,10b,11,12-dodecahydrochrysen-2-one

Systemtic Name: (4aR,4bS,5S,6aS,7R,10aS,10bS,12R)-4a,6a-dimethyl-5,7,12-tris(oxidanyl)-7-(2-oxidanylethanoyl)-3,4,4b,5,6,8,9,10,10a,10b,11,12-dodecahydrochrysen-2-one Openeye Name: (4aR,4bS,5S,6aS,7R,10aS,10bS,12R)-5,7,12-trihydroxy-7-(2-hydroxyacetyl)-4a,6a-dimethyl-3,4,4b,5,6,8,9,10,10a,10b,11,12-dodecahydrochrysen-2-one CAS Name: (4aR,4bS,5S,6aS,7R,10aS,10bS,12R)-5,7,12-trihydroxy-7-(2-hydroxy-1-oxoethyl)-4a,6a-dimethyl-3,4,4b,5,6,8,9,10,10a,10b,11,12-dodecahydrochrysen-2-one IUPAC Name: (4aR,4bS,5S,6aS,7R,10aS,10bS,12R)-5,7,12-trihydroxy-7-(2-hydroxyacetyl)-4a,6a-dimethyl-3,4,4b,5,6,8,9,10,10a,10b,11,12-dodecahydrochrysen-2-one Traditional Name: (4aR,4bS,5S,6aS,7R,10aS,10bS,12R)-7-glycoloyl-5,7,12-trihydroxy-4a,6a-dimethyl-3,4,4b,5,6,8,9,10,10a,10b,11,12-dodecahydrochrysen-2-one Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1C(CC3C2C(CC4(C3CCCC4(C(=O)CO)O)C)O)O

Isomeric SMILES

C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC[C@@]4(C(=O)CO)O)C)O)O

InChI

InChI=1S/C22H32O6/c1-20-7-5-12(24)8-15(20)16(25)9-13-14-4-3-6-22(28,18(27)11-23)21(14,2)10-17(26)19(13)20/h8,13-14,16-17,19,23,25-26,28H,3-7,9-11H2,1-2H3/t13-,14-,16+,17-,19+,20-,21-,22-/m0/s1