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Chemical ID: 4931736
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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