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Stachartin A

CAT: 0931-TN5053Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5053Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1978388-54-3
Target
Others
Related Pathways
Others
Bioactivity
Stachartin A is a natural product from the cultures of the tin mine tailings-associated fungus Stachybotrys chartarum.
Smiles
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]11Cc2c(O1)c(\C=C\C(C)=O)c(CO)cc2O
Molecular Formula
C26H36O5
Molecular Weight
428.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Stachybotrysin

Stachybotrysin is a member of benzofurans.

CAS Number1978388-54-3
PubChem CID134715092
IUPAC Name(E)-4-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-7'-yl]but-3-en-2-one
Molecular FormulaC26H36O5
Molecular Weight428.6
XLogP4.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity731
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C(C(=C4O3)/C=C/C(=O)C)CO)O)(CC[C@H](C2(C)C)O)C
InChI
InChI=1S/C26H36O5/c1-15-6-9-21-24(3,4)22(30)10-11-25(21,5)26(15)13-19-20(29)12-17(14-27)18(23(19)31-26)8-7-16(2)28/h7-8,12,15,21-22,27,29-30H,6,9-11,13-14H2,1-5H3/b8-7+/t15-,21+,22-,25+,26-/m1/s1
InChIKey
WHSVMLKIVYFFBS-DTCCPBINSA-N
Chemical Structure
2D Structure
2D structure of Stachybotrysin
CAS: 1978388-54-3
CID: 134715092
Formula: C26H36O5
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass428.25627424
Monoisotopic Mass428.25627424
Topological Polar Surface Area87 Ų
Heavy Atom Count31
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TN5355Stachartone A

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