1,1-bis(dioxidanyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: 1,1-bis(dioxidanyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Openeye Name: 17-(1,5-dimethylhexyl)-1,1-dihydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol CAS Name: 1,1-dihydroperoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: 1,1-dihydroperoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Traditional Name: 17-(1,5-dimethylhexyl)-1,1-dihydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Formula: C27H46O5 MolecularWeight: 450.65114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)O)(OO)OO)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(C(CC(C4)O)(OO)OO)C)C

InChI

InChI=1S/C27H46O5/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-27(31-29,32-30)26(19,5)24(21)13-14-25(22,23)4/h9,17-18,20-24,28-30H,6-8,10-16H2,1-5H3