methyl (1R,4aR,4bS,6R,7R)-7-ethyl-1,4a,7-trimethyl-6-oxidanyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aR,4bS,6R,7R)-7-ethyl-1,4a,7-trimethyl-6-oxidanyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1R,4aR,4bS,6R,7R)-7-ethyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate CAS Name: (1R,4aR,4bS,6R,7R)-7-ethyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR,4bS,6R,7R)-7-ethyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1R,4aR,4bS,6R,7R)-7-ethyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C2CCC3C(C2CC1O)(CCCC3(C)C(=O)OC)C)C

Isomeric SMILES

CC[C@@]1(C=C2CCC3[C@@]([C@H]2C[C@H]1O)(CCC[C@@]3(C)C(=O)OC)C)C

InChI

InChI=1S/C21H34O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h13,15-17,22H,6-12H2,1-5H3/t15-,16?,17+,19+,20+,21+/m0/s1