(3R,5R,8R,9S,10S,13R,14S,17R)-3-(dioxidanyl)-3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(dioxidanyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]peroxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

Systemtic Name: (3R,5R,8R,9S,10S,13R,14S,17R)-3-(dioxidanyl)-3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-3-(dioxidanyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]peroxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene Openeye Name: (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroperoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]peroxy]-3-hydroperoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene CAS Name: (3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroperoxy-3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]dioxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene IUPAC Name: (3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroperoxy-3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]peroxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene Traditional Name: (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroperoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]peroxy]-3-hydroperoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene Formula: C54H94O6 MolecularWeight: 839.32056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(OO)OOC5(CCC6(C(C5)CCC7C6CCC8(C7CCC8C(C)CCCC(C)C)C)C)OO)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@](C4)(OO)OO[C@]5(CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6CC[C@]8([C@H]7CC[C@@H]8[C@H](C)CCCC(C)C)C)C)OO)C)C

InChI

InChI=1S/C54H94O6/c1-35(2)13-11-15-37(5)43-21-23-45-41-19-17-39-33-53(57-55,31-29-49(39,7)47(41)25-27-51(43,45)9)59-60-54(58-56)32-30-50(8)40(34-54)18-20-42-46-24-22-44(38(6)16-12-14-36(3)4)52(46,10)28-26-48(42)50/h35-48,55-56H,11-34H2,1-10H3/t37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51-,52-,53-,54+/m1/s1