(5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-6-methyl-4,5,6-tris(oxidanyl)heptan-2-yl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

Systemtic Name: (5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-6-methyl-4,5,6-tris(oxidanyl)heptan-2-yl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione Openeye Name: (5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(1R,3S,4R)-3,4,5-trihydroxy-1,5-dimethyl-hexyl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione CAS Name: (5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione IUPAC Name: (5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione Traditional Name: (5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(1R,3S,4R)-3,4,5-trihydroxy-1,5-dimethyl-hexyl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-quinone Formula: C30H46O5 MolecularWeight: 486.68324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C(C)(C)O)O)O)C1=C2C=CC3C4(CCC(=O)C(C4CCC3(C2(CC1=O)C)C)(C)C)C

Isomeric SMILES

C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C=C[C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1=O)C)C)(C)C)C

InChI

InChI=1S/C30H46O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,19,21-22,25,31,34-35H,11-16H2,1-8H3/t17-,19+,21+,22+,25-,28+,29+,30+/m1/s1