Chemical ID: 4907598

CC1C2C(=O)C3C(O3)(C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)CNC4=O)O)C)C
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

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Descriptor Annotations

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