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Chemical ID: 7238614
Chemical ID:
7238614
Name [?]:
None
SMILES [?]:
CC1(C=CC(=O)C2(C1(CCC3(C2(Cc4c(cc(oc4=O)c5cc(c(c(c5)OC)OC)OC)O3)O)C)O)C)C
InChi [?]:
InChI=1/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,38,35,37,28,32,30,4,3,10,9,26,22,16,13,21,14,17,15,25,23,5,24,19,2,11,7,8,12,6,20,36,34,27,31,29,18,33/E:(1,2)(5,6)(12,13)(20,21)(34,35)/rA:38cCCCCCOCCCCCCCCCCCOCOCCCCCCOCOCOCOOCOCC/rB:s1;s2;d3;s4;d5;s5;s2s7;s8;s9;s10;s7s11;s12;s13;d14;s15;d16;s17;s14s18;d19;s17;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;s11s15;s12;s11;s8;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34O9 |
All Atoms: | 72 |
Heavy Atoms: | 38 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.92174 |
Area: | 687.02 |
Solvation: | -11.2538 |
Coulombic: | -86.8791 |
Bond Count [?]
All: | 42 |
Single: | 34 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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