2SR

(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol

Created:	2014-01-24
Last modified:	2015-01-21

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1 entries where 2SR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	57
Aromatic Bond Count	12

2D diagram of 2SR

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Chemical Component Summary
Name	(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol
Systematic Name (OpenEye OEToolkits)	(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(oxan-4-yl)-2H-chromen-4-ol
Formula	C₂₃ H₂₆ O₅
Molecular Weight	382.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O3c2c(c1ccc(OC)c(OC)c1)cc(cc2C(O)=CC3C4CCOCC4)C
SMILES	CACTVS	3.385	COc1ccc(cc1OC)c2cc(C)cc3C(=C[CH](Oc23)C4CCOCC4)O
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c2c(c1)C(=CC(O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1OC)c2cc(C)cc3C(=C[C@H](Oc23)C4CCOCC4)O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC
InChI	InChI	1.03	InChI=1S/C23H26O5/c1-14-10-17(16-4-5-20(25-2)22(12-16)26-3)23-18(11-14)19(24)13-21(28-23)15-6-8-27-9-7-15/h4-5,10-13,15,21,24H,6-9H2,1-3H3/t21-/m0/s1
InChIKey	InChI	1.03	RVKGQUJUMMUCKA-NRFANRHFSA-N

Related Resource References

Resource Name	Reference
PubChem	86580367

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