8QD

(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol

Created: 2017-03-01
Last modified:  2018-02-28

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count7
Bond Count63
Aromatic Bond Count6
2D diagram of 8QD
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Chemical Component Summary

Name(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
Systematic Name (OpenEye OEToolkits)(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
FormulaC24 H33 N O
Molecular Weight351.525
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C
SMILESCACTVS3.385C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CC=C4c5cccnc5
SMILESOpenEye OEToolkits2.0.6CC12CCC(CC1CCC3C2CCC4(C3CC=C4c5cccnc5)C)O
Canonical SMILESCACTVS3.385 C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O
InChIInChI1.03 InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1
InChIKeyInChI1.03 UNJQRCXVHBZVTM-PFQGPGDOSA-N

Related Resource References

Resource NameReference
PubChem 10089316