Chemical ID: 6432344

CC(C)CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc4c(c3)OCCO4
Chemical ID:
6432344
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C29H35NO8/c1-18(2)10-13-36-21-8-6-19(16-23(21)35-4)26-25(28(32)29(33)30(26)11-5-12-34-3)27(31)20-7-9-22-24(17-20)38-15-14-37-22/h6-9,16-18,26,32H,5,10-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,25,14,22,9,30,8,31,4,21,23,5,37,36,11,34,2,10,29,7,32,12,33,16,15,27,17,18,20,28,26,19,24,13,6,38,35/E:(1,2)/rA:38cCCCCCOCCCCCCOCCCCCONCCCOCOCOCCCCCCOCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s17;s16;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;s36;s32s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H35NO8
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:9.55927
Area:805.977
Solvation:-10.5901
Coulombic:-80.1496
Bond Count [?]
All:41
Single:32
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:525.59
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:4.41
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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