phenyl (6R,6aR,7R,10aS)-8-(2,2-dimethylpropanoyloxymethyl)-6-ethynyl-10a-methanoyl-7-methyl-10-oxidanylidene-6a,7-dihydro-6H-phenanthridine-5-carboxylate

Systemtic Name: phenyl (6R,6aR,7R,10aS)-8-(2,2-dimethylpropanoyloxymethyl)-6-ethynyl-10a-methanoyl-7-methyl-10-oxidanylidene-6a,7-dihydro-6H-phenanthridine-5-carboxylate Openeye Name: phenyl (6R,6aR,7R,10aS)-8-(2,2-dimethylpropanoyloxymethyl)-6-ethynyl-10a-formyl-7-methyl-10-oxo-6a,7-dihydro-6H-phenanthridine-5-carboxylate CAS Name: (6R,6aR,7R,10aS)-8-[(2,2-dimethyl-1-oxopropoxy)methyl]-6-ethynyl-10a-formyl-7-methyl-10-oxo-6a,7-dihydro-6H-phenanthridine-5-carboxylic acid phenyl ester IUPAC Name: phenyl (6R,6aR,7R,10aS)-8-(2,2-dimethylpropanoyloxymethyl)-6-ethynyl-10a-formyl-7-methyl-10-oxo-6a,7-dihydro-6H-phenanthridine-5-carboxylate Traditional Name: (6R,6aR,7R,10aS)-6-ethynyl-10a-formyl-10-keto-7-methyl-8-(pivaloyloxymethyl)-6a,7-dihydro-6H-phenanthridine-5-carboxylic acid phenyl ester Formula: C30H29NO6 MolecularWeight: 499.55436

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(N(C3=CC=CC=C3C2(C(=O)C=C1COC(=O)C(C)(C)C)C=O)C(=O)OC4=CC=CC=C4)C#C

Isomeric SMILES

C[C@@H]1[C@H]2[C@@H](N(C3=CC=CC=C3[C@]2(C(=O)C=C1COC(=O)C(C)(C)C)C=O)C(=O)OC4=CC=CC=C4)C#C

InChI

InChI=1S/C30H29NO6/c1-6-23-26-19(2)20(17-36-27(34)29(3,4)5)16-25(33)30(26,18-32)22-14-10-11-15-24(22)31(23)28(35)37-21-12-8-7-9-13-21/h1,7-16,18-19,23,26H,17H2,2-5H3/t19-,23-,26-,30-/m0/s1