Ajugol

CAT: 1459-CS-BS-00025Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1459-CS-BS-00025Size:1 Each

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Description

Ajugol is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-BS-00025. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.

Overview

Useful research chemical for a range of applications.

CAS Number

52949-83-4

Synonyms

Ajugol

Molecular Formula

C 15 H 24 O 9

Molecular Weight

348.35

Additionnal Information

Ajugol is supplied with detailed characterization data compliant with regulatory guideline. Ajugol can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.

Storage Conditions

Refer MSDS for complete information.

Applications Notes

Useful research chemical for a range of applications.

HSN Code

38229010

Hazard Compound

Refer MSDS for complete information.

Chemical Information

Ajugol

Ajugol is a glycoside and an iridoid monoterpenoid.

CAS Number	52949-83-4
PubChem CID	6325127
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C15H24O9
Molecular Weight	348.34
XLogP	-2.2
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	486

SMILES

C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

InChI

InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1

InChIKey

VELYAQRXBJLJAK-XKKWFBPMSA-N

Chemical Structure

2D Structure

CAS: 52949-83-4

CID: 6325127

Formula: C15H24O9

MW: 348.34

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	348.34
XLogP3	-2.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	348.14203234
Monoisotopic Mass	348.14203234
Topological Polar Surface Area	149 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	486
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

Alternative Products

Catalog	Name
FA74117-01	Ajugol
HY-N0914R	Ajugol (Standard)
299885	Ajugol (Leonuride)

Ajugol

Chemical Information

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