6WW

(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Created: 2016-07-11
Last modified:  2017-01-18

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count5
Bond Count62
Aromatic Bond Count12
2D diagram of 6WW
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Chemical Component Summary

Name(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Systematic Name (OpenEye OEToolkits)(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
FormulaC25 H31 N O
Molecular Weight361.52
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN([CH]1CC[CH]2[CH]3CCc4cc(O)ccc4[CH]3CC[C]12C)c5ccccc5
SMILESOpenEye OEToolkits2.0.5CC12CCC3c4ccc(cc4CCC3C1CCC2N(C)c5ccccc5)O
Canonical SMILESCACTVS3.385 CN([C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.5 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O
InChIInChI1.03 InChI=1S/C25H31NO/c1-25-15-14-21-20-11-9-19(27)16-17(20)8-10-22(21)23(25)12-13-24(25)26(2)18-6-4-3-5-7-18/h3-7,9,11,16,21-24,27H,8,10,12-15H2,1-2H3/t21-,22-,23+,24+,25+/m1/s1
InChIKeyInChI1.03 IDPMXHQQTVPBJQ-VAFBSOEGSA-N

Related Resource References

Resource NameReference
PubChem 137348539