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Structure

Ergosta-5,7,9(11),22-tetraen-3b-ol

CAS
516-85-8
Catalog Number
ACM516858
Category
Other Products
Molecular Weight
394.63
Molecular Formula
C28H42O

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Specification

Synonyms
Dehydroergosterol, E2634_SIGMA, MolPort-003-941-256, CID6436660, Ergosta-5,7,9(11),22-tetraen-3beta-ol, delta(5,7,9(11)22)-Ergostatetraen-3-ol, Ergosta-5,7,9(11),22-tetraen-3-ol, (3beta,22E)-, 516-85-8, ERG
IUPAC Name
(3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C1(CC=C3C2=CC=C4C3(CCC(C4)O)C)C
InChI Key
QSVJYFLQYMVBDR-CMNOFMQQSA-N
Boiling Point
520.6ºC at 760 mmHg
Flash Point
221ºC
Density
1.02g/cm³
Exact Mass
394.32400
Hazard Statements
Xn
H-Bond Acceptor
1
H-Bond Donor
1
Safety Description
36/37
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