methyl (1S,4aS)-1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aS)-1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,4aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: (1S,4aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: (1S,4aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=C2C=C(C=C3)O)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@](C1CCC3=C2C=C(C=C3)O)(C)C(=O)OC

InChI

InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-6-12-5-7-13(19)11-14(12)17/h5,7,11,15,19H,4,6,8-10H2,1-3H3/t15?,17-,18+/m1/s1