152-hydroxycholestane

CAT: 0926-FDA65642-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FDA65642-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

80656-42-4

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

5alpha-Cholestan-3beta,15beta-diol

5alpha-cholestan-3beta,15beta-diol is a 3beta-hydroxysteroid consisting of 3beta-hydroxy-5alpha-cholestane having an additional hydroxy group at the 15beta-position. It is a 3beta-hydroxy steroid and a 15beta-hydroxy steroid.

CAS Number	80656-42-4
PubChem CID	51351806
IUPAC Name	(3S,5S,8R,9S,10S,13R,14S,15R,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 Formula	C27H48O2
Molecular Weight	404.7
XLogP	8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	573

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-PRKDSDQMSA-N

Chemical Structure

2D Structure

CAS: 80656-42-4

CID: 51351806

Formula: C27H48O2

MW: 404.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	404.7
XLogP3	8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	404.365430770
Monoisotopic Mass	404.365430770
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	573
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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cyt-161-01	IL36G 152 a.a.
BA8621-10	I-152
HY-103086	INU-152
GTR19210316-01	HS-152
GTR19209151-01	SA 152
HY-123120	SA-152
sc-214765	Coumarin 152
GTR19262384-01	RTx-152
GTR19274752-01	EGFR-IN-152

152-hydroxycholestane

Chemical Information

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