2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-7-acetyloxy-8-methanoyl-1,4b,8-trimethyl-10-oxidanyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]ethanoate

Systemtic Name: 2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-7-acetyloxy-8-methanoyl-1,4b,8-trimethyl-10-oxidanyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]ethanoate Openeye Name: 2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-7-acetoxy-8-formyl-10-hydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate CAS Name: (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-7-acetyloxy-8-formyl-10-hydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetic acid 2-(methylamino)ethyl ester IUPAC Name: 2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-7-acetyloxy-8-formyl-10-hydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate Traditional Name: (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-7-acetoxy-8-formyl-10-hydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetic acid 2-(methylamino)ethyl ester Formula: C25H39NO6 MolecularWeight: 449.58026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3CC2O)(C)C=O)OC(=O)C)C

Isomeric SMILES

C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCNC)[C@]3(CC[C@@H]([C@]([C@@H]3C[C@@H]2O)(C)C=O)OC(=O)C)C

InChI

InChI=1S/C25H39NO6/c1-15-17(12-22(30)31-11-10-26-5)6-7-18-23(15)19(29)13-20-24(18,3)9-8-21(32-16(2)28)25(20,4)14-27/h12,14-15,18-21,23,26,29H,6-11,13H2,1-5H3/b17-12+/t15-,18-,19-,20+,21-,23-,24+,25+/m0/s1