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Terretonin A

CAT: 0804-HY-N12197-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12197-01Size:1 mg
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Description
Terretonin A is a meroterpenoid that can be isolated from the endophytic fungus Aspergillus terreus[1].
CAS Number
865092-86-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/terretonin-a.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@]3([H])[C@](C([C@](C)(OC3=O)C(OC)=O)=O)(C(C[C@@]1([H])[C@]4(C(C(C)(C(CC4)=O)C)=C(C2=O)O)C)=C)C
Molecular Formula
C26H32O8
Molecular Weight
472.53
References & Citations
[1]Sabrin R.M. Ibrahim, et al. Aspernolides F and G, new butyrolactones from the endophytic fungus Aspergillus terreus. Phytochemistry Letters. Volume 14, December 2015, Pages 84-90.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Terretonin A

Terretonin A is a steroid lactone.

CAS Number865092-86-0
PubChem CID11547355
IUPAC Namemethyl (2R,4aS,4bR,10aR,10bR,12aR)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate
Molecular FormulaC26H32O8
Molecular Weight472.5
XLogP2.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity1130
SMILES
C[C@]12CCC(=O)C(C1=C(C(=O)[C@@]3([C@@H]2CC(=C)[C@]4([C@H]3C(=O)O[C@@](C4=O)(C)C(=O)OC)C)C)O)(C)C
InChI
InChI=1S/C26H32O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,17,28H,1,9-11H2,2-8H3/t13-,17-,23-,24+,25-,26-/m1/s1
InChIKey
GTEJJXOFLPCZGJ-DOFPOEDPSA-N
Chemical Structure
2D Structure
2D structure of Terretonin A
CAS: 865092-86-0
CID: 11547355
Formula: C26H32O8
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass472.20971797
Monoisotopic Mass472.20971797
Topological Polar Surface Area124 Ų
Heavy Atom Count34
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5822669Terretonin A
WCA91190Terretonin

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