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Chemical ID: 4175240
Chemical ID:
4175240
Name [?]:
None
SMILES [?]:
CC12CCC(=O)C=C1CC(C3C2C(CC4(C3CCC45CCC(=O)O5)C)O)C(=O)OC
InChi [?]:
InChI=1/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,30,4,17,21,3,18,20,7,9,14,8,5,10,16,13,22,11,12,27,2,15,19,6,26,23,28,29,24/rA:30cCCCCCOCCCCCCCCCCCCCCCCOOCOCOOC/rB:s1;s2;s3;s4;d5;s5;s2d7;s8;s9;s10;s2s11;s12;s13;s14;s11s15;s16;s17;s15s18;s19;s20;s21;d22;s19s22;s15;s13;s10;d27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 8.22915 |
Area: | 563.585 |
Solvation: | -5.86047 |
Coulombic: | -59.7108 |
Bond Count [?]
All: | 34 |
Single: | 30 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 416.507 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.39 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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