Cholestan-3β,5α,6β-triol

CAT: 0926-FC76729-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FC76729-01Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1253-84-5

MDL Number

MFCD00021171

Smiles

C[C@H] (CCCC (C) C) [C@H]1CC[C@@H]2[C@@]1 (CC[C@H]3[C@H]2C[C@H] ([C@@]4 ([C@@]3 (CC[C@@H] (C4) O) C) O) O) C

Molecular Formula

C27H48O3

Molecular Weight

420.67 g/mol

Controlled

Chemical Information

3beta,5alpha,6beta-Trihydroxycholestane

5alpha-cholestane-3beta,5,6beta-triol is a 3beta-hydroxy steroid, a 6beta-hydroxy steroid and a 5alpha-hydroxy steroid. It derives from a hydride of a 5alpha-cholestane.

CAS Number	1253-84-5
PubChem CID	91498
IUPAC Name	(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular Formula	C27H48O3
Molecular Weight	420.7
XLogP	7
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	619

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C

InChI

InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1

InChIKey

YMMFNKXZULYSOQ-RUXQDQFYSA-N

Chemical Structure

2D Structure

CAS: 1253-84-5

CID: 91498

Formula: C27H48O3

MW: 420.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.7
XLogP3	7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	420.36034539
Monoisotopic Mass	420.36034539
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	619
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

Related Products

Catalog	Name
FS42631-01	Stigmastane-3,5,6-triol
FC10508-01	5-a-Cholestan-3-one
FC182960-01	5β-Cholanic acid-3α,6β,7α-triol
FC59744-01	5-b-Cholestan-3-one
AAA51695-01	5α (H) -Cholestan-3α-ol
ZCA55411	3-Fluoro-6-methyloxane-2,4,5-triol
AAA36068-01	5-beta-Cholestan-3-Beta-Ol (Coprosterol)
FC165305-01	(3',5',7') -Cholane-3,7,24-triol
ZWB29927	2- (Hydroxymethyl) -6-{[3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxy}oxane-3,4,5-triol
APD14180-01	2- (Aminomethyl) benzene-1,3,5-triol hydrochloride

Alternative Products

Catalog	Name
503422	CHOLESTAN-3β, 5β, 6β-TRIOL
504962	CHOLESTAN-3β, 5α, 6β-TRIOL
503427	CHOLESTAN-3β, 5α, 6β-TRIOL TRIACETATE
503425	CHOLESTAN-3β, 5α, 6β-TRIOL 3-HEMISUCCINATE
503424	CHOLESTAN-3β, 5α, 6β-TRIOL 3-ACETATE
503426	CHOLESTAN-3β, 5α, 6β-TRIOL 3, 6-DIACETATE
437488-01	5α-Cholestan-3α,7α,12α-triol
504738	5β-CHOLESTAN-3α, 7α, 12α- TRIOL
503404	5αCHOLESTAN-3α, 7α, 12αTRIOL
505038	5α-CHOLESTAN-3, 6-DIONE

Cholestan-3β,5α,6β-triol

Chemical Information

Related Products

Alternative Products

Popular Products