[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl] (2R)-6-methyl-5-methylidene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate

Systemtic Name: [(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl] (2R)-6-methyl-5-methylidene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate Openeye Name: [(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl] (2R)-6-methyl-5-methylene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate CAS Name: (2R)-6-methyl-5-methylene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid [(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] (2R)-6-methyl-5-methylidene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate Traditional Name: (2R)-5-isopropyl-2-[(5R,10S,13R,14R,17R)-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hex-5-enoic acid [(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl] ester Formula: C36H56O7 MolecularWeight: 600.82564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C)CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)OC5C(C(C(CO5)O)O)O

Isomeric SMILES

CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O

InChI

InChI=1S/C36H56O7/c1-20(2)21(3)9-10-22(31(41)43-32-30(40)29(39)26(37)19-42-32)23-13-17-36(8)25-11-12-27-33(4,5)28(38)15-16-34(27,6)24(25)14-18-35(23,36)7/h20,22-23,26-27,29-30,32,37,39-40H,3,9-19H2,1-2,4-8H3/t22-,23-,26-,27+,29+,30-,32+,34-,35-,36+/m1/s1