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Ergosterol Impurity 15

CAT: 1299-RM-D272015-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D272015-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22260-46-4
Synonyms
(24R) -Ergost-4-en-3-one; (8S,9S,10R,13R,14S,17R) -17- ((2R,5R) -5,6-dimethylheptan-2-yl) -10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Molecular Formula
C28H46O
Molecular Weight
398.68
Target Alternative Name
Ergosterol
Product Name Synonym
(24R) -Ergost-4-en-3-one; (8S,9S,10R,13R,14S,17R) -17- ((2R,5R) -5,6-dimethylheptan-2-yl) -10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

Chemical Information

(8S,9S,10S,13S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Number22260-46-4
PubChem CID177844210
IUPAC Name(8S,9S,10S,13S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC28H46O
Molecular Weight398.7
XLogP8.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity659
SMILES
C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@@]34C)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/h17-20,23-26H,7-16H2,1-6H3/t19-,20-,23+,24-,25+,26+,27-,28+/m1/s1
InChIKey
QQIOPZFVTIHASB-WZRJSJHTSA-N
Chemical Structure
2D Structure
2D structure of (8S,9S,10S,13S,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS: 22260-46-4
CID: 177844210
Formula: C28H46O
MW: 398.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.7
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass398.354866087
Monoisotopic Mass398.354866087
Topological Polar Surface Area17.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity659
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

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