Chevalone C

CAT: 0013-GTR19191115-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19191115-01Size:1 mg

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Description

Chevalone C is a meroterpenoid fungal metabolite with antimycobacterial activity against M. tuberculosis H37Ra and cytotoxicity against human cancer cell lines, including BC1 breast and HCT116 colorectal carcinoma cells. It also exhibits antimicrobial effects against multidrug-resistant bacterial strains such as E. coli and S. aureus in vitro assays.

CAS Number

1318025-77-2

Field of Research

Infectious Disease & Virology

Smiles

[H][C@@]12CC[C@]3 (C) [C@] ([H]) (CC[C@]4 (C) Oc5oc (C) cc (=O) c5C[C@@]34[H]) [C@@]1 (C) CC[C@H] (OC (C) =O) C2 (C) C

Molecular Formula

C28H40O5

Molecular Weight

456.61

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Chevalone C

Chevalone C is an organic heterotricyclic compound and an organooxygen compound.

CAS Number	1318025-77-2
PubChem CID	53474390
IUPAC Name	[(1R,2S,11S,14R,15R,18S,20R)-1,7,11,15,19,19-hexamethyl-5-oxo-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-18-yl] acetate
Molecular Formula	C28H40O5
Molecular Weight	456.6
XLogP	6
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	33
Formal Charge	0
Complexity	959

SMILES

CC1=CC(=O)C2=C(O1)O[C@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@H]3C2)C)(C)C)OC(=O)C)C)C

InChI

InChI=1S/C28H40O5/c1-16-14-19(30)18-15-22-27(6)11-8-20-25(3,4)23(32-17(2)29)10-12-26(20,5)21(27)9-13-28(22,7)33-24(18)31-16/h14,20-23H,8-13,15H2,1-7H3/t20-,21+,22-,23-,26-,27+,28-/m0/s1

InChIKey

ASOIHOGDYISNRH-GPTGPEQGSA-N

Chemical Structure

2D Structure

CAS: 1318025-77-2

CID: 53474390

Formula: C28H40O5

MW: 456.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	456.6
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	456.28757437
Monoisotopic Mass	456.28757437
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	959
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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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Alternative Products

Catalog	Name
HY-N8509	Chevalone E
T36815-01	Chevalone C
TCC02575	Chevalone B

Chevalone C

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