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24-Hydroxycholesterol

CAT: 0926-FBA27138-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FBA27138-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30271-38-6
MDL Number
MFCD31544368
Smiles
C[C@H] (CCC (C (C) C) O) [C@H]1CC[C@@H]2[C@@]1 (CC[C@H]3[C@H]2CC=C4[C@@]3 (CC[C@@H] (C4) O) C) C
Molecular Formula
C27H46O2
Molecular Weight
402.65 g/mol
Controlled
Yes

Chemical Information

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

24-hydroxycholesterol is an oxysterol that is cholesterol which is substituted by a hydroxy group at position 24. It is a 3beta-hydroxy-Delta(5)-steroid, a 24-hydroxy steroid and an oxysterol. It is functionally related to a cholesterol.

CAS Number30271-38-6
PubChem CID12302757
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H46O2
Molecular Weight402.7
XLogP7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity624
SMILES
C[C@H](CCC(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
InChIKey
IOWMKBFJCNLRTC-GHMQSXNDSA-N
Chemical Structure
2D Structure
2D structure of (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS: 30271-38-6
CID: 12302757
Formula: C27H46O2
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.7
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass402.349780706
Monoisotopic Mass402.349780706
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes