Chemical ID: 7238614

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
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

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