methyl (4aR,10aS)-6-methanoyl-1,1-dimethyl-5-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate

Systemtic Name: methyl (4aR,10aS)-6-methanoyl-1,1-dimethyl-5-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Openeye Name: methyl (4aR,10aS)-6-formyl-5-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-6-formyl-5-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,10aS)-6-formyl-5-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-6-formyl-5-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)O)C=O

Isomeric SMILES

CC(C)C1=C(C(=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C(=O)OC)O)C=O

InChI

InChI=1S/C22H30O4/c1-13(2)15-11-14-7-8-17-21(3,4)9-6-10-22(17,20(25)26-5)18(14)19(24)16(15)12-23/h11-13,17,24H,6-10H2,1-5H3/t17-,22+/m0/s1