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AB023b

CAT: 0013-GTR19198349-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198349-01Size:25 mg
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Description
AB023b is a small molecule compound exhibiting both antibacterial and antifungal activities. It serves as a research tool for studying microbial pathogenesis and has been utilized in both in vitro assays and in vivo animal models of infection.
CAS Number
141443-40-5
Field of Research
Infectious Disease & Virology
Smiles
CCC1C (O) CC (O) CCCC (O) CC (O) CC (O) C (C) C (O) C=CC=CC=CC=CC=CC (C) C (C) OC1=O |w:32.32,30.30,28.28,26.26,24.24|
Molecular Formula
C32H52O8
Molecular Weight
564.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

AB-023b is a macrolide.

CAS Number141443-40-5
PubChem CID6443657
IUPAC Name(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Molecular FormulaC32H52O8
Molecular Weight564.7
XLogP4.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count40
Formal Charge0
Complexity848
SMILES
CCC1C(CC(CCCC(CC(CC(C(C(/C=C\C=C/C=C\C=C/C=C\C(C(OC1=O)C)C)O)C)O)O)O)O)O
InChI
InChI=1S/C32H52O8/c1-5-28-31(38)20-26(34)17-14-16-25(33)19-27(35)21-30(37)23(3)29(36)18-13-11-9-7-6-8-10-12-15-22(2)24(4)40-32(28)39/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3/b7-6-,10-8-,11-9-,15-12-,18-13-
InChIKey
JJDUHQRKYHRVNV-DISGBCGLSA-N
Chemical Structure
2D Structure
2D structure of (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
CAS: 141443-40-5
CID: 6443657
Formula: C32H52O8
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
XLogP34.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass564.36621861
Monoisotopic Mass564.36621861
Topological Polar Surface Area148 Ų
Heavy Atom Count40
Formal Charge0
Complexity848
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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