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19-hydroxy Cholesterol

CAT: 0931-T36217-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36217-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
561-63-7
Target
Others
Related Pathways
Others
Bioactivity
19-hydroxy Cholesterol is an oxysterol and an internal standard for quantitative measurement of sterols by capillary gas chromatography. It can promote atherosclerosis. Frozen storage and grilling of Atlantic cod fillets (Merluccius hubbsi) can promote the increase of 19-Hydroxy cholesterol content.
Smiles
C(O)[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](O)CC2)[H])[H]
Molecular Formula
C27H46O2
Molecular Weight
402.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

19-Hydroxycholesterol

19-Hydroxycholesterol is a cholestanoid.

CAS Number561-63-7
PubChem CID6453303
IUPAC Name(3S,8S,9S,10S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H46O2
Molecular Weight402.7
XLogP7.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity610
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)CO)C
InChI
InChI=1S/C27H46O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1
InChIKey
YRWIUNJQYGATHV-FTLVODPJSA-N
Chemical Structure
2D Structure
2D structure of 19-Hydroxycholesterol
CAS: 561-63-7
CID: 6453303
Formula: C27H46O2
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.7
XLogP37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass402.349780706
Monoisotopic Mass402.349780706
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity610
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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Alternative Products

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267917-0119-Carboxy cholesterol
RM-H041819-01Cholesterol Impurity 19
GTR19232499-0119-alkyne Cholesterol
FH23945-014b-Hydroxy cholesterol
4626417α-hydroxy Cholesterol
TRC-H917980-5MG4Beta-Hydroxy Cholesterol
279044-01Niyq22a-Hydroxy cholesterol
013566-017β-Hydroxy Cholesterol
TRC-H917990-10MG7Alpha-Hydroxy Cholesterol

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