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Ergosterol

CAT: 0931-T2912Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T2912Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57-87-4
Target
Endogenous Metabolite, Antioxidant
Related Pathways
Oxidation-Reduction, Metabolism
Purity
0.998
Bioactivity
Ergosterol is the major sterol in fungi and has anti-inflammatory, antioxidant and antiproliferative properties.
Smiles
C[C@@]12[C@](C=3[C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Molecular Formula
C28H44O
Molecular Weight
396.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ergosterol

Ergosterol is a phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a Saccharomyces cerevisiae metabolite and a fungal metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols, a 3beta-sterol and an ergostanoid.

CAS Number57-87-4
PubChem CID444679
IUPAC Name(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC28H44O
Molecular Weight396.6
XLogP7.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity712
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey
DNVPQKQSNYMLRS-APGDWVJJSA-N
Chemical Structure
2D Structure
2D structure of Ergosterol
CAS: 57-87-4
CID: 444679
Formula: C28H44O
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass396.339216023
Monoisotopic Mass396.339216023
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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