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15±-hydroxycholestane

CAT: 0926-YCA38949-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-YCA38949-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73389-49-8
Smiles
C[C@H] (CCCC (C) C) [C@H]1C[C@@H] ([C@@H]2[C@@]1 (CC[C@H]3[C@H]2CC[C@@H]4[C@@]3 (CC[C@@H] (C4) O) C) C) O
Molecular Formula
C27H48O2
Molecular Weight
404.67 g/mol
Controlled
Yes

Chemical Information

15alpha-Hydroxycholestane

15alpha-Hydroxycholestane is a cholestanoid.

CAS Number73389-49-8
PubChem CID52931313
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,15S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
Molecular FormulaC27H48O2
Molecular Weight404.7
XLogP8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
C[C@H](CCCC(C)C)[C@H]1C[C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,24+,25-,26+,27-/m1/s1
InChIKey
MSKYNEGIINKEKI-IISASWRDSA-N
Chemical Structure
2D Structure
2D structure of 15alpha-Hydroxycholestane
CAS: 73389-49-8
CID: 52931313
Formula: C27H48O2
MW: 404.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.7
XLogP38
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass404.365430770
Monoisotopic Mass404.365430770
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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