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Chemical ID: 7586080
Chemical ID:
7586080
Name [?]:
None
SMILES [?]:
CC1(C2C(Cc3cccc(c3O2)OC)C(=O)C4C1Oc5c(cccc5OC)C4)C
InChi [?]:
InChI=1/C24H26O5/c1-24(2)22-15(11-13-7-5-9-17(26-3)20(13)28-22)19(25)16-12-14-8-6-10-18(27-4)21(14)29-23(16)24/h5-10,15-16,22-23H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,14,27,8,23,7,22,9,24,5,28,6,21,4,17,10,25,15,11,20,3,18,2,16,13,26,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(22,23)(26,27)(28,29)/rA:29cCCCCCCCCCCCOOCCOCCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s3s11;s10;s13;s4;d15;s15;s2s17;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s17s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26O5 |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.16799 |
Area: | 559.406 |
Solvation: | -7.81715 |
Coulombic: | -37.0405 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.47 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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