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Austalide D

CAT: 0013-GTR19229453-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229453-01Size:1 mg
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Description
Austalide D (CAS 81543-04-6) is a fungal metabolite used in life science research. It has been studied in vitro for its potential biological activities, including investigations into its effects on various cellular pathways and as a tool compound in pharmacological studies.
CAS Number
81543-04-6
Smiles
COc1c2C (=O) OCc2c (C) c2OC3 (C) CC (O) C45OC (CC (OC (C) =O) C4 (C) C3Cc12) (OC) OC5 (C) C
Molecular Formula
C28H36O10
Molecular Weight
532.586
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(1R,2R,4S,16R,17S,18R,20S)-2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-18-yl] acetate

Austalide D is a member of xanthenes.

CAS Number81543-04-6
PubChem CID157979
IUPAC Name[(1R,2R,4S,16R,17S,18R,20S)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-18-yl] acetate
Molecular FormulaC28H36O10
Molecular Weight532.6
XLogP2.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1030
SMILES
CC1=C2COC(=O)C2=C(C3=C1O[C@]4(C[C@H]([C@@]56[C@@]([C@H]4C3)([C@@H](C[C@@](O5)(OC6(C)C)OC)OC(=O)C)C)O)C)OC
InChI
InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)10-18(30)28-24(3,4)37-27(33-8,38-28)11-19(26(17,28)6)35-14(2)29/h17-19,30H,9-12H2,1-8H3/t17-,18+,19+,25-,26-,27-,28+/m0/s1
InChIKey
WDGSJYYXVXQQHP-OPQAPENCSA-N
Chemical Structure
2D Structure
2D structure of [(1R,2R,4S,16R,17S,18R,20S)-2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-18-yl] acetate
CAS: 81543-04-6
CID: 157979
Formula: C28H36O10
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass532.23084734
Monoisotopic Mass532.23084734
Topological Polar Surface Area119 Ų
Heavy Atom Count38
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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