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Chemical ID: 7452011
Chemical ID:
7452011
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(3-isopentyloxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)CCOc1cccc(c1)C2C(=C(c3ccc4c(c3)OCCO4)O)C(=O)C(=O)N2CCCOC
InChi [?]:
InChI=1/C28H33NO7/c1-18(2)10-13-34-21-7-4-6-19(16-21)25-24(27(31)28(32)29(25)11-5-12-33-3)26(30)20-8-9-22-23(17-20)36-15-14-35-22/h4,6-9,16-18,25,30H,5,10-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,36,9,33,10,8,17,18,4,32,34,5,24,23,12,21,2,11,16,7,19,20,14,13,15,27,29,31,26,28,30,35,6,25,22/E:(1,2)/rA:36cCCCCCOCCCCCCCCCCCCCCCOCCOOCOCONCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;s15;s14;d27;s27;d29;s13s29;s31;s32;s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33NO7 |
All Atoms: | 69 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0949 |
Area: | 726.206 |
Solvation: | -8.06023 |
Coulombic: | -75.3527 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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