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4α-Methylfecosterol

CAT: 0013-GTR19280312-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280312-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4α-Methylfecosterol is classified as a nonsaponifiable lipid.
CAS Number
17757-07-2
Smiles
C[C@@]12C3=C ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CCC (C (C) C) =C) C) (CC4) [H]) [H]) CC[C@]1 ([C@H] (C) [C@@H] (O) CC2) [H]
Molecular Formula
C29H48O
Molecular Weight
412.7
Notes
For research use only.

Chemical Information

4 Alpha-methyl-5 alpha-ergosta-8,24(28)-dien-3 beta-ol

4alpha-Methylfecosterol is an ergostanoid.

CAS Number17757-07-2
PubChem CID193524
IUPAC Name(3S,4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H48O
Molecular Weight412.7
XLogP8.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity701
SMILES
C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C
InChI
InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1
InChIKey
QLDNWJOJCDIMKK-XLFBYWHPSA-N
Chemical Structure
2D Structure
2D structure of 4 Alpha-methyl-5 alpha-ergosta-8,24(28)-dien-3 beta-ol
CAS: 17757-07-2
CID: 193524
Formula: C29H48O
MW: 412.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight412.7
XLogP38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass412.370516150
Monoisotopic Mass412.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity701
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