Ergosterol glucoside

CAT: 0013-GTR19182224Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19182224Size:5 mg

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Description

Ergosterol glucoside is a sterol derivative isolated from the medicinal plant Rehmannia glutinosa. It serves as a research tool for studying sterol metabolism and has been investigated in vitro for its potential biological activities.

CAS Number

130155-33-8

Smiles

CC (C) [C@@H] (C) \C=C\[C@@H] (C) [C@H]1CC[C@H]2C3=CC=C4C[C@H] (CC[C@]4 (C) [C@H]3CC[C@]12C) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O

Molecular Formula

C34H54O6

Molecular Weight

558.79

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(3beta,22E)-ergosta-5,7,22-trien-3-yl beta-D-glucopyranoside

Ergosteryl 3-beta-D-glucoside is the ergosterol analogue of a sterol 3-beta-D-glucoside. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It is a sterol 3-beta-D-glucoside and a monosaccharide derivative. It is functionally related to an ergosterol.

CAS Number	130155-33-8
PubChem CID	44176397
IUPAC Name	(2R,3R,4S,5S,6R)-2-[[(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C34H54O6
Molecular Weight	558.8
XLogP	5.8
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	40
Formal Charge	0
Complexity	1000

SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C

InChI

InChI=1S/C34H54O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-10,19-21,23,25-32,35-38H,11-18H2,1-6H3/b8-7+/t20-,21+,23-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34+/m0/s1

InChIKey

MKZPNGBJJJZJMI-GBLVNJONSA-N

Chemical Structure

2D Structure

CAS: 130155-33-8

CID: 44176397

Formula: C34H54O6

MW: 558.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	558.8
XLogP3	5.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	558.39203944
Monoisotopic Mass	558.39203944
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1000
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5762343	Ergosterol glucoside
293400-01	Ergosterol Peroxide Glucoside
T2912	Ergosterol

Ergosterol glucoside

Chemical Information

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