6WV

(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-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 Count55
Chiral Atom Count5
Bond Count59
Aromatic Bond Count12
2D diagram of 6WV
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Chemical Component Summary

Name(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-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-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
FormulaC24 H29 N O
Molecular Weight347.493
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2Nc5ccccc5
SMILESOpenEye OEToolkits2.0.5CC12CCC3c4ccc(cc4CCC3C1CCC2Nc5ccccc5)O
Canonical SMILESCACTVS3.385 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2Nc5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.5 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O
InChIInChI1.03 InChI=1S/C24H29NO/c1-24-14-13-20-19-10-8-18(26)15-16(19)7-9-21(20)22(24)11-12-23(24)25-17-5-3-2-4-6-17/h2-6,8,10,15,20-23,25-26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,24+/m1/s1
InChIKeyInChI1.03 KXSGDIXLRIAMPQ-DJCPXJLLSA-N

Related Resource References

Resource NameReference
PubChem 123133765