NQ8

(5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Created:	2019-12-11
Last modified:	2020-11-18

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1 entries where NQ8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	6
Bond Count	53
Aromatic Bond Count	0

2D diagram of NQ8

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Chemical Component Summary
Name	(5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Systematic Name (OpenEye OEToolkits)	(5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Formula	C₁₉ H₃₀ O
Molecular Weight	274.441
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]12CCC[CH]1[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC2
SMILES	OpenEye OEToolkits	2.0.7	CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C
Canonical SMILES	CACTVS	3.385	C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C
InChI	InChI	1.03	InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
InChIKey	InChI	1.03	VMNRNUNYBVFVQI-QYXZOKGRSA-N

Related Resource References

Resource Name	Reference
PubChem	102028

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