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Chemical ID: 4814872

Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCCOC)O

Chemical ID:

4814872

Name [?]:

3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-isobutoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCCOC)O

InChi [?]:

InChI=1/C27H33NO7/c1-16(2)15-35-21-10-8-19(13-17(21)3)25(30)23-24(18-7-9-20(29)22(14-18)34-5)28(11-6-12-33-4)27(32)26(23)31/h7-10,13-14,16,24,29,31H,6,11-12,15H2,1-5H3

InChi Info:

AuxInfo=1/0/N:11,12,1,34,28,31,22,5,23,6,30,32,3,26,9,10,2,21,4,24,7,25,15,20,13,16,17,19,29,14,35,18,33,27,8/E:(1,2)/rA:35cCCCCCCCOCCCCCOCCCONCCCCCCCOCOCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s4;d13;s13;d15;s16;d17;s17;s15s19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s19;s30;s31;s32;s33;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₃NO₇
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	9.54992
Area:	756.706
Solvation:	-9.36773
Coulombic:	-80.48

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	483.553
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	4.09
LogP (Chemaxon):	3.0

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

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Chemical Mix	Source	External ID	Descriptor	Value