methyl (1S,2S,4aR,4bR,7R,8aS,10aS)-7-(hydroxymethyl)-4a,7-dimethyl-2-oxidanyl-1,2,3,4,4b,5,6,8,8a,10a-decahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1S,2S,4aR,4bR,7R,8aS,10aS)-7-(hydroxymethyl)-4a,7-dimethyl-2-oxidanyl-1,2,3,4,4b,5,6,8,8a,10a-decahydrophenanthrene-1-carboxylate Openeye Name: methyl (1S,2S,4aR,4bR,7R,8aS,10aS)-2-hydroxy-7-(hydroxymethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,10a-decahydrophenanthrene-1-carboxylate CAS Name: (1S,2S,4aR,4bR,7R,8aS,10aS)-2-hydroxy-7-(hydroxymethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,10a-decahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,2S,4aR,4bR,7R,8aS,10aS)-2-hydroxy-7-(hydroxymethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,10a-decahydrophenanthrene-1-carboxylate Traditional Name: (1S,2S,4aR,4bR,7R,8aS,10aS)-2-hydroxy-4a,7-dimethyl-7-methylol-1,2,3,4,4b,5,6,8,8a,10a-decahydrophenanthrene-1-carboxylic acid methyl ester Formula: C19H30O4 MolecularWeight: 322.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)C=CC3C2(CCC(C3C(=O)OC)O)C)CO

Isomeric SMILES

C[C@]1(CC[C@@H]2[C@@H](C1)C=C[C@@H]3[C@@]2(CC[C@@H]([C@H]3C(=O)OC)O)C)CO

InChI

InChI=1S/C19H30O4/c1-18(11-20)8-6-13-12(10-18)4-5-14-16(17(22)23-3)15(21)7-9-19(13,14)2/h4-5,12-16,20-21H,6-11H2,1-3H3/t12-,13-,14+,15+,16+,18-,19-/m1/s1