4,4,10,13,14-pentamethyl-17-[(5R,6R)-6-methyl-5,6,7-tris(oxidanyl)heptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

Systemtic Name: 4,4,10,13,14-pentamethyl-17-[(5R,6R)-6-methyl-5,6,7-tris(oxidanyl)heptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione Openeye Name: 4,4,10,13,14-pentamethyl-17-[(4R,5R)-4,5,6-trihydroxy-1,5-dimethyl-hexyl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione CAS Name: 4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione IUPAC Name: 4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione Traditional Name: 4,4,10,13,14-pentamethyl-17-[(4R,5R)-4,5,6-trihydroxy-1,5-dimethyl-hexyl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-quinone Formula: C30H48O5 MolecularWeight: 488.69912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(CO)O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C

Isomeric SMILES

CC(CC[C@H]([C@@](C)(CO)O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C

InChI

InChI=1S/C30H48O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31,34-35H,8-17H2,1-7H3/t18?,19?,22?,24-,27?,28?,29?,30-/m1/s1