Adenanthin

CAT: 0931-T21033-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T21033-02Size:10 mg

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CAS Number

111917-59-0

Target

Others

Related Pathways

Others

Bioactivity

Adenanthin, a natural inhibitor of thiol-dependent antioxidant enzymes, impairs the effector functions of human natural killer cells.

Smiles

O=C([C@]([C@H]1OC(C)=O)(C2)[C@]3([H])[C@]4(C)[C@@H](OC(C)=O)C[C@H](O)C(C)(C)[C@@]4([H])C1=O)C([C@]2([H])C[C@@H]3OC(C)=O)=C

Molecular Formula

C26H34O9

Molecular Weight

490.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Adenanthin

(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-bis(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate has been reported in Isodon calcicola, Isodon nervosus, and other organisms with data available.

CAS Number	111917-59-0
PubChem CID	15011073
IUPAC Name	[(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Molecular Formula	C26H34O9
Molecular Weight	490.5
XLogP	1.8
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	1030

SMILES

CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4([C@H](C[C@@H](C([C@H]4C(=O)[C@@H]3OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C

InChI

InChI=1S/C26H34O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-18,20-21,23,30H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,23+,25+,26+/m1/s1

InChIKey

WQVYSFSBBFDGRG-FYHXSELJSA-N

Chemical Structure

2D Structure

CAS: 111917-59-0

CID: 15011073

Formula: C26H34O9

MW: 490.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	490.5
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	490.22028266
Monoisotopic Mass	490.22028266
Topological Polar Surface Area	133 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	1030
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
GTR19201933-01	Adenanthin
AR-A05616-01	Adenanthin A
379503	Adenanthin discontinued

Adenanthin

Chemical Information

Alternative Products

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