Chemical ID: 6200446

CC1CCC2C(C13CCC4(O3)CC(=O)OC4)(CCC(C2(C)COC=O)OC=O)C
Chemical ID:
6200446
Name [?]:
None
SMILES [?]:
CC1CCC2C(C13CCC4(O3)CC(=O)OC4)(CCC(C2(C)COC=O)OC=O)C
InChi [?]:
InChI=1/C22H32O7/c1-15-4-5-16-19(2,11-26-13-23)17(28-14-24)6-7-20(16,3)22(15)9-8-21(29-22)10-18(25)27-12-21/h13-17H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,29,3,4,18,17,9,8,12,22,16,24,27,2,5,19,13,20,6,10,7,25,28,14,23,15,26,11/rA:29cCCCCCCCCCCOCCOOCCCCCCCOCOOCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s7s10;s10;s12;d13;s13;s10s15;s6;s17;s18;s5s19;s20;s20;s22;s23;d24;s19;s26;d27;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H32O7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:7
ZAP Information [?]
Total:6.78353
Area:580.137
Solvation:-7.71989
Coulombic:-59.2218
Bond Count [?]
All:32
Single:29
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:408.485
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.23
LogP (Chemaxon):1.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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