(2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-bis(oxidanyl)propyl]-2,4-dimethyl-2-piperidin-3-yloxy-oxane-3,4,5-triol

Systemtic Name: (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-bis(oxidanyl)propyl]-2,4-dimethyl-2-piperidin-3-yloxy-oxane-3,4,5-triol Openeye Name: (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dihydroxy-propyl]-2,4-dimethyl-2-(3-piperidyloxy)tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dihydroxypropyl]-2,4-dimethyl-2-(3-piperidinyloxy)oxane-3,4,5-triol IUPAC Name: (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dihydroxypropyl]-2,4-dimethyl-2-piperidin-3-yloxyoxane-3,4,5-triol Traditional Name: (2R,3R,4R,5R,6R)-6-[(1R,2R)-2-[(3S,10R,13S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dihydroxy-propyl]-2,4-dimethyl-2-(3-piperidyloxy)tetrahydropyran-3,4,5-triol Formula: C34H57NO9 MolecularWeight: 623.81768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CC(C4C(C)(C(C5C(C(C(C(O5)(C)OC6CCCNC6)O)(C)O)O)O)O)O)C)O

Isomeric SMILES

C[C@]12CCC3C(C1C[C@H]([C@@H]2[C@](C)([C@@H]([C@@H]4[C@H]([C@@]([C@H]([C@](O4)(C)OC5CCCNC5)O)(C)O)O)O)O)O)CC=C6[C@@]3(CC[C@@H](C6)O)C

InChI

InChI=1S/C34H57NO9/c1-30-12-10-19(36)15-18(30)8-9-21-22(30)11-13-31(2)23(21)16-24(37)26(31)32(3,41)27(38)25-28(39)33(4,42)29(40)34(5,44-25)43-20-7-6-14-35-17-20/h8,19-29,35-42H,6-7,9-17H2,1-5H3/t19-,20?,21?,22?,23?,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+/m0/s1