Carpalasionin

CAT: 0804-HY-N7533-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N7533-01Size:1 mg

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Description

Carpalasionin is a natural product derived from Rabdosia serra. Rabdosia serra is an important component of Chinese herbal teas, traditionally used to research hepatitis, jaundice, cholecystitis and colitis[1].

CAS Number

83150-97-4

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/carpalasionin.html

Solubility

10 mM in DMSO

Smiles

O[C@H]1[C@@]2([H])[C@@]34[C@@]([C@@H](OC4)O)([H])[C@@](C)(CC[C@]3([H])OC([C@@]25C[C@@](C(C5=O)=C)([H])C1)=O)COC(C)=O

Molecular Formula

C22H28O8

Molecular Weight

420.45

References & Citations

[1]Hongyi Li, et al. Rabdosia serra alleviates dextran sulfate sodium salt-induced colitis in mice through anti-inflammation, regulating Th17/Treg balance, maintaining intestinal barrier integrity, and modulating gut microbiota. Journal of Pharmaceutical Analysis Available online 18 August 2022.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Carpalasionin

Carpalasionin has been reported in Isodon serra with data available.

CAS Number	83150-97-4
PubChem CID	101599958
IUPAC Name	[(1S,4S,7R,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-7-yl]methyl acetate
Molecular Formula	C22H28O8
Molecular Weight	420.5
XLogP	0.8
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	852

SMILES

CC(=O)OC[C@@]1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@@H](C[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C

InChI

InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3/t12-,13-,14+,15-,16-,18-,20+,21+,22+/m1/s1

InChIKey

WORCTCAHGPHFQO-WEOPCBAZSA-N

Chemical Structure

2D Structure

CAS: 83150-97-4

CID: 101599958

Formula: C22H28O8

MW: 420.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.5
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	420.17841785
Monoisotopic Mass	420.17841785
Topological Polar Surface Area	119 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	852
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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
IDA15097-01	Carpalasionin

Carpalasionin

Chemical Information

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