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Chemical ID: 6847274

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OC(=O)C4COc5ccccc5O4

Chemical ID:

6847274

Name [?]:

[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] 7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxylate

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OC(=O)C4COc5ccccc5O4

InChi [?]:

InChI=1/C27H22O6/c1-15-8-10-18(11-9-15)25-26(24(28)23-17(3)12-16(2)13-21(23)32-25)33-27(29)22-14-30-19-6-4-5-7-20(19)31-22/h4-13,22H,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,20,29,30,28,31,3,7,4,6,14,16,25,2,15,13,5,27,32,17,24,12,10,8,9,22,11,23,26,33,18,21/E:(8,9)(10,11)/rA:33cCCCCCCCCCCOCCCCCCOCCOCOCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂O₆
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.9486
Area:	639.533
Solvation:	-4.03975
Coulombic:	-56.3182

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	442.46
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.26
LogP (Chemaxon):	5.79

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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