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Chemical ID: 6200446
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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