1-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-10-pyren-4-yl-decan-1-one

Systemtic Name: 1-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-10-pyren-4-yl-decan-1-one Openeye Name: 1-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-10-pyren-4-yl-decan-1-one CAS Name: 1-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-10-(4-pyrenyl)-1-decanone IUPAC Name: 1-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-10-pyren-4-yldecan-1-one Traditional Name: 1-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-10-pyren-4-yl-decan-1-one Formula: C53H72O2 MolecularWeight: 741.13758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)(C(=O)CCCCCCCCCC5=CC6=CC=CC7=C6C8=C(C=CC=C58)C=C7)O)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=C4[C@@]3(CC[C@](C4)(C(=O)CCCCCCCCCC5=CC6=CC=CC7=C6C8=C(C=CC=C58)C=C7)O)C)C

InChI

InChI=1S/C53H72O2/c1-36(2)16-13-17-37(3)45-28-29-46-44-27-26-42-35-53(55,33-32-51(42,4)47(44)30-31-52(45,46)5)48(54)23-12-10-8-6-7-9-11-18-40-34-41-21-14-19-38-24-25-39-20-15-22-43(40)50(39)49(38)41/h14-15,19-22,24-26,34,36-37,44-47,55H,6-13,16-18,23,27-33,35H2,1-5H3/t37-,44+,45-,46+,47+,51+,52-,53+/m1/s1