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Austinol

CAT: 0931-TN11530-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11530-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72040-27-8
Target
Others
Related Pathways
Others
Bioactivity
Austino is a fungal meroterpenoid derived from 3,5-dimethylorsellinic acid.
Smiles
C[C@@]12[C@]34[C@](O)(C(=O)O[C@@](C)(C3=C)[C@@H](O)C1=C(C)[C@]5(CC2)C(C)(C)OC(=O)C=C5)[C@@H](C)OC4=O
Molecular Formula
C25H30O8
Molecular Weight
458.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Unii-6Z34580guz

Unii-6Z34580guz has been reported in Aspergillus stellatus, Aspergillus ustus, and Aspergillus nidulans with data available.

CAS Number72040-27-8
PubChem CID3085683
IUPAC Name(1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione
Molecular FormulaC25H30O8
Molecular Weight458.5
XLogP0.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count33
Formal Charge0
Complexity1120
SMILES
C[C@@H]1[C@]2(C(=O)O[C@@]3([C@H](C4=C([C@@]5(CC[C@@]4([C@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)O)C)O
InChI
InChI=1S/C25H30O8/c1-12-16-17(27)22(7)13(2)24(18(28)31-14(3)25(24,30)19(29)33-22)21(16,6)10-11-23(12)9-8-15(26)32-20(23,4)5/h8-9,14,17,27,30H,2,10-11H2,1,3-7H3/t14-,17+,21+,22+,23+,24+,25-/m1/s1
InChIKey
DNKFADXVMUNRRM-XOPCMRBUSA-N
Chemical Structure
2D Structure
2D structure of Unii-6Z34580guz
CAS: 72040-27-8
CID: 3085683
Formula: C25H30O8
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass458.19406791
Monoisotopic Mass458.19406791
Topological Polar Surface Area119 Ų
Heavy Atom Count33
Formal Charge0
Complexity1120
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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CatalogName
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CatalogName
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