Chemical ID: 6694240

CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)C
Chemical ID:
6694240
Name [?]:
None
SMILES [?]:
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)C
InChi [?]:
InChI=1/C26H34O9/c1-12-8-19-24(31,21(12)30)10-17(11-33-14(3)27)9-18-20-23(6,7)26(20,35-16(5)29)22(34-15(4)28)13(2)25(18,19)32/h8-9,13,18-20,22,31-32H,10-11H2,1-7H3
InChi Info:
AuxInfo=1/0/N:26,1,24,35,31,7,8,12,19,17,20,13,2,22,33,29,18,9,11,5,14,3,6,16,10,4,23,34,30,15,25,27,21,32,28/E:(6,7)/rA:35cCCCCCCCCCCCCCCOCCCCCOCOCOCOOCOCOCOC/rB:s1;s2;s3;s4;s4s5;s6;s6;s5;s2s9;s10;s11;d12;s13;d14;s11s14;s16;s17;s9d18;s18;s20;s21;d22;s22;s16;s13;s10;s4;s28;d29;s29;s3;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H34O9
All Atoms:35
Heavy Atoms:35
Chiral Atoms:8
ZAP Information [?]
Total:10.2105
Area:670.648
Solvation:-6.55574
Coulombic:-96.1836
Bond Count [?]
All:38
Single:32
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:490.543
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:0.66
LogP (Chemaxon):0.57

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Descriptor Annotations

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