methyl (1R,4aR,4bS,7S,8S,8aS,9E,10aR)-9-(2-ethoxy-2-oxidanylidene-ethylidene)-1,4a-dimethyl-7,8-bis(oxidanyl)-7-propan-2-yl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aR,4bS,7S,8S,8aS,9E,10aR)-9-(2-ethoxy-2-oxidanylidene-ethylidene)-1,4a-dimethyl-7,8-bis(oxidanyl)-7-propan-2-yl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aR,4bS,7S,8S,8aS,9E,10aR)-9-(2-ethoxy-2-oxo-ethylidene)-7,8-dihydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate CAS Name: (1R,4aR,4bS,7S,8S,8aS,9E,10aR)-9-(2-ethoxy-2-oxoethylidene)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR,4bS,7S,8S,8aS,9E,10aR)-9-(2-ethoxy-2-oxoethylidene)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aR,4bS,7S,8S,8aS,9E,10aR)-9-(2-ethoxy-2-keto-ethylidene)-7,8-dihydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester Formula: C25H40O6 MolecularWeight: 436.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CC2C(CCCC2(C)C(=O)OC)(C3C1C(C(CC3)(C(C)C)O)O)C

Isomeric SMILES

CCOC(=O)/C=C/1\C[C@@H]2[C@](CCC[C@@]2(C)C(=O)OC)([C@@H]3[C@@H]1[C@@H]([C@](CC3)(C(C)C)O)O)C

InChI

InChI=1S/C25H40O6/c1-7-31-19(26)14-16-13-18-23(4,10-8-11-24(18,5)22(28)30-6)17-9-12-25(29,15(2)3)21(27)20(16)17/h14-15,17-18,20-21,27,29H,7-13H2,1-6H3/b16-14+/t17-,18+,20+,21-,23+,24+,25-/m0/s1