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Chemical ID: 4219151
Chemical ID:
4219151
Name [?]:
None
SMILES [?]:
CC(C)CC(=O)OC1C(c2c(ccc3c2oc(=O)cc3)OC1(C)C)OC(=O)C
InChi [?]:
InChI=1/C21H24O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-9,11,19-20H,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,28,23,24,13,20,12,19,4,2,26,14,11,17,5,10,15,9,8,22,27,18,6,25,16,7,21/E:(1,2)(4,5)/rA:28cCCCCCOOCCCCCCCCOCOCCOCCCOCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s14d19;s11;s8s21;s22;s22;s9;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24O7 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.12635 |
Area: | 545.135 |
Solvation: | -4.50204 |
Coulombic: | -63.5089 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 388.411 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.79 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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