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Epitaraxerol

CAT: 0931-TN3978-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3978-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20460-33-7
Target
Antifungal, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Epitaraxerol (Isotaraxerol) is an antifungal natural product with moderate antibacterial activity against Candida albicans.
Smiles
C[C@]12C=3[C@](C)([C@]4([C@@](C)(CC3)CCC(C)(C)C4)[H])CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@H](O)CC5)[H])[H]
Molecular Formula
C30H50O
Molecular Weight
426.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Epitaraxerol

3-Epi-taraxerol has been reported in Neolitsea konishii, Macaranga triloba, and other organisms with data available.

CAS Number20460-33-7
PubChem CID12443227
IUPAC Name(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Molecular FormulaC30H50O
Molecular Weight426.7
XLogP9.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity790
SMILES
C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C
InChI
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24+,27-,28-,29-,30+/m0/s1
InChIKey
GGGUGZHBAOMSFJ-VONAQYPGSA-N
Chemical Structure
2D Structure
2D structure of Epitaraxerol
CAS: 20460-33-7
CID: 12443227
Formula: C30H50O
MW: 426.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.7
XLogP39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass426.386166214
Monoisotopic Mass426.386166214
Topological Polar Surface Area20.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N3837-01Epitaraxerol

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