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Dunaimycin A1

CAT: 0013-GTR19255618-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255618-02Size:10 mg
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Description
Dunaimycin A1 is a 24-membered macrolide compound with both immunosuppressive properties and activity against Aspergillus niger. It holds potential for research in autoimmune diseases.
CAS Number
140221-72-3
Field of Research
Infectious Disease & Virology
Smiles
O=C1OC2CC3 (OC (CC (=O) C (C=CCCCCCC (C) C (O) CC (O) C (C) C (O) C (C=C1) C) CC (C) C) C2C) OC (CC (O) CC) C (C) CC3
Molecular Formula
C42H72O9
Molecular Weight
721.016
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7,9,11-Trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-oxane]-3,21-dione
CAS Number140221-72-3
PubChem CID85111711
IUPAC Name7,9,11-trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-oxane]-3,21-dione
Molecular FormulaC42H72O9
Molecular Weight721.0
XLogP8.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count51
Formal Charge0
Complexity1120
SMILES
CCC(CC1C(CCC2(O1)CC3C(C(O2)CC(=O)C(C=CCCCCCC(C(CC(C(C(C(C=CC(=O)O3)C)O)C)O)O)C)CC(C)C)C)C)O
InChI
InChI=1S/C42H72O9/c1-9-33(43)22-37-28(5)19-20-42(50-37)25-39-31(8)38(51-42)24-36(46)32(21-26(2)3)16-14-12-10-11-13-15-27(4)34(44)23-35(45)30(7)41(48)29(6)17-18-40(47)49-39/h14,16-18,26-35,37-39,41,43-45,48H,9-13,15,19-25H2,1-8H3
InChIKey
VARNFPKZDRZDKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,9,11-Trihydroxy-6'-(2-hydroxybutyl)-5',6,8,12,27-pentamethyl-20-(2-methylpropyl)spiro[2,24-dioxabicyclo[21.3.1]heptacosa-4,18-diene-25,2'-oxane]-3,21-dione
CAS: 140221-72-3
CID: 85111711
Formula: C42H72O9
MW: 721.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight721.0
XLogP38.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass720.51763387
Monoisotopic Mass720.51763387
Topological Polar Surface Area143 Ų
Heavy Atom Count51
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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