Chemical ID: 6691819

CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
Chemical ID:
6691819
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChi [?]:
InChI=1/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3
InChi Info:
AuxInfo=1/0/N:13,14,1,33,27,28,11,3,6,29,20,12,2,31,25,7,4,9,17,16,18,15,5,19,32,26,10,23,30,21,24,8,22/E:(1,2)/rA:33cCCCCCCCOCOCCCCCCCCCCOOOOCOCCCOCOC/rB:s1;d2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;s12;s5;s15;s16;s17;s15s18;s19;s19s20;s4s18;s17;s16;s24;d25;s25;s15;s5;s29;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34O9
All Atoms:33
Heavy Atoms:33
Chiral Atoms:8
ZAP Information [?]
Total:8.70093
Area:648.665
Solvation:-7.51569
Coulombic:-87.1607
Bond Count [?]
All:36
Single:32
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.521
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.69
LogP (Chemaxon):0.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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