Inflexuside A

CAT: 0013-GTR19220231-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19220231-02Size:5 mg

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Description

Inflexuside A and Inflexuside B are abietane diterpenoids isolated from Isodon inflexus that potently suppress LPS-induced nitric oxide production in RAW264.7 macrophages. These compounds are valuable research tools for studying inflammatory pathways and nitric oxide synthase (iNOS) inhibition in cellular models of inflammation.

CAS Number

1395048-85-7

Field of Research

Immunology & Inflammation

Smiles

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

Molecular Formula

C26H42O9

Molecular Weight

498.61

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Inflexuside A

CAS Number	1395048-85-7
PubChem CID	66560893
IUPAC Name	(4S,4aS,5R,7R,10aS)-5,7-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
Molecular Formula	C26H42O9
Molecular Weight	498.6
XLogP	0.2
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	869

SMILES

CC(C)[C@@]1(C[C@H](C2=C(C1)C(=O)C[C@@H]3[C@@]2([C@H](CCC3(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)O)O

InChI

InChI=1S/C26H42O9/c1-12(2)26(33)9-13-14(28)8-17-24(3,4)7-6-18(25(17,5)19(13)15(29)10-26)35-23-22(32)21(31)20(30)16(11-27)34-23/h12,15-18,20-23,27,29-33H,6-11H2,1-5H3/t15-,16-,17+,18+,20-,21+,22-,23+,25-,26-/m1/s1

InChIKey

GOCBEYXJHVKABX-WNGISKSKSA-N

Chemical Structure

2D Structure

CAS: 1395048-85-7

CID: 66560893

Formula: C26H42O9

MW: 498.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.6
XLogP3	0.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	498.28288291
Monoisotopic Mass	498.28288291
Topological Polar Surface Area	157 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	869
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
MBS5817531	Inflexuside A
MBS5817530	Inflexuside B

Inflexuside A

Chemical Information

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