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Ergosterol Acetate

CAT: 0931-TN7071-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7071-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2418-45-3
Target
Others, Antifungal
Related Pathways
Microbiology/Virology, Others
Purity
0.9844
Bioactivity
Ergosterol Acetate (Ergosta-5,7,22-trien-3-beta-yl acetate) is one of the acetate derivatives of Ergosterol from Monascus anka.
Smiles
C[C@@]12[C@](C=3[C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Molecular Formula
C30H46O2
Molecular Weight
438.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ergosterol, acetate

Ergosterol Acetate has been reported in Chlorella vulgaris with data available.

CAS Number2418-45-3
PubChem CID6436903
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-yl] acetate
Molecular FormulaC30H46O2
Molecular Weight438.7
XLogP8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity817
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)OC(=O)C)C)C
InChI
InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21+,24-,26+,27-,28-,29-,30+/m0/s1
InChIKey
NGEVNHYPVVOXPB-RZZBNZQCSA-N
Chemical Structure
2D Structure
2D structure of Ergosterol, acetate
CAS: 2418-45-3
CID: 6436903
Formula: C30H46O2
MW: 438.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.7
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass438.349780706
Monoisotopic Mass438.349780706
Topological Polar Surface Area26.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity817
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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