[(1S,4S,7S,9aS,11aS)-9a,11a-dimethyl-4,7-bis(oxidanyl)-1,2,3,3a,3b,4,5,5a,6,7,9,9b,10,11-tetradecahydroindeno[4,5-h]isochromen-1-yl] propanoate

Systemtic Name: [(1S,4S,7S,9aS,11aS)-9a,11a-dimethyl-4,7-bis(oxidanyl)-1,2,3,3a,3b,4,5,5a,6,7,9,9b,10,11-tetradecahydroindeno[4,5-h]isochromen-1-yl] propanoate Openeye Name: [(1S,4S,7S,9aS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,9,9b,10,11-tetradecahydroindeno[4,5-h]isochromen-1-yl] propanoate CAS Name: propanoic acid [(1S,4S,7S,9aS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,9,9b,10,11-tetradecahydroindeno[4,5-h][2]benzopyran-1-yl] ester IUPAC Name: [(1S,4S,7S,9aS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,9,9b,10,11-tetradecahydroindeno[4,5-h]isochromen-1-yl] propanoate Traditional Name: propionic acid [(1S,4S,7S,9aS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,9,9b,10,11-tetradecahydroinden[4,5-h]isochromen-1-yl] ester Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CCC2C1(CCC3C2C(CC4C3(COC(C4)O)C)O)C

Isomeric SMILES

CCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2[C@H](CC4[C@@]3(CO[C@@H](C4)O)C)O)C

InChI

InChI=1S/C21H34O5/c1-4-17(23)26-16-6-5-13-19-14(7-8-20(13,16)2)21(3)11-25-18(24)10-12(21)9-15(19)22/h12-16,18-19,22,24H,4-11H2,1-3H3/t12?,13?,14?,15-,16-,18-,19?,20-,21-/m0/s1