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Chemical ID: 7741678

COc1cc(cc(c1OC)OC)C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3

Chemical ID:

7741678

Name [?]:

None

SMILES [?]:

COc1cc(cc(c1OC)OC)C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3

InChi [?]:

InChI=1/C23H25NO6/c1-27-19-12-15(13-20(28-2)21(19)29-3)22(26)24-10-8-23(9-11-24)14-17(25)16-6-4-5-7-18(16)30-23/h4-7,12-13H,8-11,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,12,10,26,27,25,28,17,19,16,20,4,6,21,5,24,22,29,3,7,8,13,18,15,23,14,2,11,9,30/E:(1,2)(8,9)(10,11)(12,13)(19,20)(27,28)/rA:30nCOCCCCCCOCOCCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;s18;s15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s18s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₆
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	7.37227
Area:	601.751
Solvation:	-7.67149
Coulombic:	-53.8948

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.64
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value