ML-236C

CAT: 0931-T69048-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T69048-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

58889-18-2

Target

Others

Related Pathways

Others

Bioactivity

ML-236C is an inhibitor of cholesterogenesis.

Smiles

C(C[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]2[C@@]3(C(C=C[C@@H]2C)=CCCC3)[H]

Molecular Formula

C18H26O3

Molecular Weight

290.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ML 236C

ML-236C is a member of hexahydronaphthalenes, a polyketide, a secondary alcohol, a carbobicyclic compound and a member of 2-pyranones. It has a role as an antiatherosclerotic agent, an antimicrobial agent, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, an antilipemic drug, an anticholesteremic drug and a fungal metabolite.

CAS Number	58889-18-2
PubChem CID	173650
IUPAC Name	(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
Molecular Formula	C18H26O3
Molecular Weight	290.4
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	451

SMILES

C[C@H]1C=CC2=CCCC[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O

InChI

InChI=1S/C18H26O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h4,6-7,12,14-17,19H,2-3,5,8-11H2,1H3/t12-,14+,15+,16-,17-/m0/s1

InChIKey

NXIASLUNMKAUTN-WFKFIOEPSA-N

Chemical Structure

2D Structure

CAS: 58889-18-2

CID: 173650

Formula: C18H26O3

MW: 290.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	290.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	290.18819469
Monoisotopic Mass	290.18819469
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	451
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

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ML-236C

Chemical Information

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