(E,6R)-6-[(3R,7R,10S,13R,14R,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-7-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid

Systemtic Name: (E,6R)-6-[(3R,7R,10S,13R,14R,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-7-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid Openeye Name: (E,6R)-6-[(3R,7R,10S,13R,14R,17R)-3,15-diacetoxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid CAS Name: (E,6R)-6-[(3R,7R,10S,13R,14R,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-heptenoic acid IUPAC Name: (E,6R)-6-[(3R,7R,10S,13R,14R,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid Traditional Name: (E,6R)-6-[(3R,7R,10S,13R,14R,17R)-3,15-diacetoxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid Formula: C34H52O7 MolecularWeight: 572.77248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CCC3=C2C(CC4C3(CCC(C4(C)C)OC(=O)C)C)O)C)C)OC(=O)C

Isomeric SMILES

C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC([C@@]2([C@@]1(CCC3=C2[C@@H](CC4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)O)C)C)OC(=O)C

InChI

InChI=1S/C34H52O7/c1-19(11-10-12-20(2)30(38)39)24-17-28(41-22(4)36)34(9)29-23(13-16-33(24,34)8)32(7)15-14-27(40-21(3)35)31(5,6)26(32)18-25(29)37/h12,19,24-28,37H,10-11,13-18H2,1-9H3,(H,38,39)/b20-12+/t19-,24-,25-,26?,27-,28?,32-,33-,34+/m1/s1