Bergenin pentaacetate

CAT: 0804-HY-N2919Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N2919Size:1 mg

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Description

Bergenin pentaacetate is a Phenols product that can be isolated from the herbs of Bergenia purpurascens[1].

CAS Number

14531-47-6

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/bergenin-pentaacetate.html

Purity

90.0

Smiles

CC(OC1=C(C2=CC(OC(C)=O)=C1OC)[C@@]3([H])[C@@](OC2=O)([H])[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)O3)OC(C)=O)=O

Molecular Formula

C24H26O14

Molecular Weight

538.45

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Bergenin Pentaacetate

CAS Number	14531-47-6
PubChem CID	14137655
IUPAC Name	[(2R,3R,4R,4aS,10bS)-3,4,8,10-tetraacetyloxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl acetate
Molecular Formula	C24H26O14
Molecular Weight	538.5
XLogP	0.4
Topological Polar Surface Area	176
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Heavy Atom Count	38
Formal Charge	0
Complexity	962

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)C3=C(C(=C(C=C3C(=O)O2)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C24H26O14/c1-9(25)32-8-16-19(34-11(3)27)22(36-13(5)29)23-21(37-16)17-14(24(30)38-23)7-15(33-10(2)26)18(31-6)20(17)35-12(4)28/h7,16,19,21-23H,8H2,1-6H3/t16-,19-,21+,22+,23+/m1/s1

InChIKey

NCBOXCFFSWALMZ-XTNBEGJDSA-N

Chemical Structure

2D Structure

CAS: 14531-47-6

CID: 14137655

Formula: C24H26O14

MW: 538.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	538.5
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Exact Mass	538.13225550
Monoisotopic Mass	538.13225550
Topological Polar Surface Area	176 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	962
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
HY-N0017-01	Bergenin
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HY-124512-01	Quercetin pentaacetate
HY-N3827	Epicatechin pentaacetate
HY-W039923-01	β-D-Galactose pentaacetate
HY-W039898-01	α-D-Mannose pentaacetate
HY-N3238	Mulberrofuran G pentaacetate
HY-114998-01	α-D-Glucosamine pentaacetate

Alternative Products

Catalog	Name
GTR19181999	Bergenin pentaacetate
N1369-20	Bergenin

Bergenin pentaacetate

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