Chemical ID: 4931736

CC(=O)Oc1ccccc1C2CC(=O)CC(C23C(=O)c4ccccc4C3=O)c5ccccc5OC(=O)C
Chemical ID:
4931736
Name [?]:
None
SMILES [?]:
CC(=O)Oc1ccccc1C2CC(=O)CC(C23C(=O)c4ccccc4C3=O)c5ccccc5OC(=O)C
InChi [?]:
InChI=1/C30H24O7/c1-17(31)36-26-13-7-5-11-22(26)24-15-19(33)16-25(23-12-6-8-14-27(23)37-18(2)32)30(24)28(34)20-9-3-4-10-21(20)29(30)35/h3-14,24-25H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,22,23,8,30,7,31,21,24,9,29,6,32,12,15,2,35,13,20,25,10,28,11,16,5,33,18,26,17,3,36,14,19,27,4,34/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(22,23)(24,25)(26,27)(28,29)(31,32)(34,35)(36,37)/rA:37cCCOOCCCCCCCCCOCCCCOCCCCCCCOCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s11s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s17s25;d26;s16;s28;d29;s30;d31;d28s32;s33;s34;d35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H24O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:2
ZAP Information [?]
Total:10.988
Area:637.625
Solvation:-4.95262
Coulombic:-59.0574
Bond Count [?]
All:41
Single:27
Double:14
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:496.507
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.53
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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