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Chemical ID: 4907598
Chemical ID:
4907598
Name [?]:
None
SMILES [?]:
CC1C2C(=O)C3C(O3)(C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)CNC4=O)O)C)C
InChi [?]:
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:17,14,1,30,29,18,19,15,24,16,13,2,20,22,21,4,12,3,6,26,7,9,25,28,23,5,27,11,10,8/rA:30cCCCCOCCOCOOCCCCCCCCCCCOCNCOOCC/rB:s1;s2;s3;d4;s4;s6;s6s7;s7;s3s9;s9;s2s11;s12;s13;s13;w15;s16;s16;w18;s19;w20;s21;d22;s22;s24;s21s25;d26;s20;s9;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO7 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 8.27748 |
Area: | 615.083 |
Solvation: | -7.09959 |
Coulombic: | -80.4785 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 3 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 417.452 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.75 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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