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Dihydroergosterol

CAT: 1299-RG-A261174-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261174-04Size:100 mg
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CAS Number
516-79-0
Synonyms
Ergostra-5,7-dien-3β-ol; Provitamin D4 ; ∆5,7-Ergostadien-3β-ol; ∆5,7-Ergostadienol; (3S,9S,10R,13R,14R,17R) -17- ((2R,5S) -5,6-dimethylheptan-2-yl) -10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C28H46O
Molecular Weight
398.68
Target Alternative Name
Ergosterol
Product Name Synonym
Ergostra-5,7-dien-3β-ol; Provitamin D4 ; ∆5,7-Ergostadien-3β-ol; ∆5,7-Ergostadienol; (3S,9S,10R,13R,14R,17R) -17- ((2R,5S) -5,6-dimethylheptan-2-yl) -10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Chemical Information

Dihydroergosterol

Ergosta-5,7-dien-3beta-ol is a phytosterol consiting of ergostane having double bonds at the 5,6- and 7,8-positions as well as a 3beta-hydroxy group. It is a member of phytosterols, a 3beta-sterol and an ergostanoid. It derives from a hydride of a 5alpha-ergostane.

CAS Number516-79-0
PubChem CID5326970
IUPAC Name(3S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC28H46O
Molecular Weight398.7
XLogP8.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity672
SMILES
C[C@H](CC[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/C28H46O/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/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey
ZKQRGSXITBHHPC-VVQHAZRASA-N
Chemical Structure
2D Structure
2D structure of Dihydroergosterol
CAS: 516-79-0
CID: 5326970
Formula: C28H46O
MW: 398.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.7
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass398.354866087
Monoisotopic Mass398.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity672
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
GTR1923375822,23-Dihydroergosterol
FH35439-0112-Hydroxy-7,8-dihydroergosterol
AR-E10184-01Ergosterol Impurity 3 (22,23-Dihydroergosterol)

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