[(3S,4aR)-5,6,10-triacetyloxy-1,1,4a-trimethyl-9-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,4aR)-5,6,10-triacetyloxy-1,1,4a-trimethyl-9-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] ethanoate Openeye Name: [(3S,4aR)-5,6,10-triacetoxy-7-isopropyl-1,1,4a-trimethyl-9-oxo-3,4-dihydro-2H-phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,4aR)-5,6,10-triacetyloxy-1,1,4a-trimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] ester IUPAC Name: [(3S,4aR)-5,6,10-triacetyloxy-1,1,4a-trimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,4aR)-5,6,10-triacetoxy-7-isopropyl-9-keto-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-3-yl] ester Formula: C28H34O9 MolecularWeight: 514.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C3C2(CC(CC3(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C3[C@@]2(C[C@H](CC3(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H34O9/c1-13(2)19-10-20-21(24(36-16(5)31)23(19)35-15(4)30)28(9)12-18(34-14(3)29)11-27(7,8)26(28)25(22(20)33)37-17(6)32/h10,13,18H,11-12H2,1-9H3/t18-,28+/m0/s1