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Irpexan

CAT: 0931-TN11039-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11039-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
313354-27-7
Target
Others
Related Pathways
Others
Bioactivity
Irpexan was originally isolated from the strain Irpex sp. 93028.
Smiles
O(C(C(CC/C=C(/CCC=C(C)C)\C)(C)O)CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Molecular Formula
C36H62O7
Molecular Weight
606.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Irpexan

Irpexan is a triterpenoid.

CAS Number313354-27-7
PubChem CID10531755
IUPAC Name(2S,3S,4S,5S,6R)-2-[(6E,14E,18E)-10-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaen-11-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC36H62O7
Molecular Weight606.9
XLogP7.8
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Heavy Atom Count43
Formal Charge0
Complexity955
SMILES
CC(=CCC/C(=C/CC/C(=C/CCC(C(C)(CC/C=C(\C)/CCC=C(C)C)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)C
InChI
InChI=1S/C36H62O7/c1-25(2)14-9-16-27(5)18-11-19-28(6)20-12-22-31(43-35-34(40)33(39)32(38)30(24-37)42-35)36(8,41)23-13-21-29(7)17-10-15-26(3)4/h14-15,18,20-21,30-35,37-41H,9-13,16-17,19,22-24H2,1-8H3/b27-18+,28-20+,29-21+/t30-,31?,32-,33+,34+,35+,36?/m1/s1
InChIKey
AAEDIAWSKYSEKJ-ULWXIDRDSA-N
Chemical Structure
2D Structure
2D structure of Irpexan
CAS: 313354-27-7
CID: 10531755
Formula: C36H62O7
MW: 606.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.9
XLogP37.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Exact Mass606.44955431
Monoisotopic Mass606.44955431
Topological Polar Surface Area120 Ų
Heavy Atom Count43
Formal Charge0
Complexity955
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14430Irpexan

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