(8R,9S,10R,13S,14S,17S)-17-[(2S,4R,5R,6S)-4-azido-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8R,9S,10R,13S,14S,17S)-17-[(2S,4R,5R,6S)-4-azido-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8R,9S,10R,13S,14S,17S)-17-[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8R,9S,10R,13S,14S,17S)-17-[[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8R,9S,10R,13S,14S,17S)-17-[(2S,4R,5R,6S)-4-azido-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C25H37N3O4 MolecularWeight: 443.57898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)N=[N+]=[N-])O

Isomeric SMILES

C[C@H]1[C@@H]([C@@H](C[C@H](O1)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)N=[N+]=[N-])O

InChI

InChI=1S/C25H37N3O4/c1-14-23(30)20(27-28-26)13-22(31-14)32-21-7-6-18-17-5-4-15-12-16(29)8-10-24(15,2)19(17)9-11-25(18,21)3/h12,14,17-23,30H,4-11,13H2,1-3H3/t14-,17-,18-,19-,20+,21-,22+,23-,24-,25-/m0/s1