6WM

(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

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

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count6
Bond Count61
Aromatic Bond Count12
2D diagram of 6WM
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Chemical Component Summary

Name(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Systematic Name (OpenEye OEToolkits)(8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
FormulaC25 H30 O2
Molecular Weight362.505
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1C[CH](Cc5ccccc5)[CH]2O
SMILESOpenEye OEToolkits2.0.5CC12CCC3c4ccc(cc4CCC3C1CC(C2O)Cc5ccccc5)O
Canonical SMILESCACTVS3.385 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](Cc5ccccc5)[C@@H]2O
Canonical SMILESOpenEye OEToolkits2.0.5 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O
InChIInChI1.03 InChI=1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21+,22+,23-,24-,25-/m0/s1
InChIKeyInChI1.03 BLOLGUACGJBTQO-SKKBRJBHSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL270250
PubChem 10498888
ChEMBL CHEMBL270250