2-Desoxy-4-epi-pulchellin

CAT: 0013-GTR19156340-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19156340-01Size:100 mg

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Description

2-Desoxy-4-epi-pulchellin has potent in vitro cytotoxicities against the K562, MCF-7, Hela, DU145, U937, H1975, SGC-7901, A549, MOLT-4, and HL60 cell lines with IC50 values ranging from 0.10 to 46.7uM, while it shows significant antiviral (H1N1 and H3N2) activities, it also displays significant antimycobacterial activity (IC50=7.6 uM) .

CAS Number

122872-03-1

Field of Research

Cell Biology

Purity

>98% (HPLC)

Smiles

C[C@H] (C[C@@H] ([C@H] (C1) C2=C) OC2=O) [C@H] (CC2) [C@@]1 (C) [C@H]2O

Molecular Formula

C15H22O3

Molecular Weight

250.3

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

2-Desoxy-4-epi-pulchellin

2-Desoxy-4-epi-pulchellin has been reported in Inula anatolica, Carpesium faberi, and Carpesium abrotanoides with data available.

CAS Number	122872-03-1
PubChem CID	10399864
IUPAC Name	(3aS,5R,5aS,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Molecular Formula	C15H22O3
Molecular Weight	250.33
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	403

SMILES

C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1CC[C@@H]3O)C)C(=C)C(=O)O2

InChI

InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1

InChIKey

BOPADYWRUULRBD-MBICNOSFSA-N

Chemical Structure

2D Structure

CAS: 122872-03-1

CID: 10399864

Formula: C15H22O3

MW: 250.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	250.33
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	250.15689456
Monoisotopic Mass	250.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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