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Sporminarin A

CAT: 0013-GTR19279256-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279256-01Size:50 mg
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Description
Sporminarin A (Compound 1) is a polyketide compound that serves as a secondary metabolite produced by microorganisms. It can be isolated from Sporormiella minimoides. Sporminarin A exhibits significant antifungal activity against Aspergillus flavus with an MIC50 of 25 μg/mL and also shows antibacterial activity against Staphylococcus aureus (ATCC 29213) and Candida albicans (ATCC 14053) .
CAS Number
915403-42-8
Smiles
C (=C (/C (C (/C=C/C (C (/C=C/C (C (/C=C (/C (C (C (O) =O) C) O) \C) C) O) C) O) C) O) \C) \[C@]1 (C) O[C@@] (CC (CC) C) (C) C[C@H] (C) [C@H]1O
Molecular Formula
C36H62O8
Molecular Weight
622.88
Notes
For research use only.

Chemical Information

Sporminarin A

Sporminarin A is a sesterterpenoid.

CAS Number915403-42-8
PubChem CID12000279
IUPAC Name(4E,8E,12E,16E)-3,7,11,15-tetrahydroxy-17-[(2S,3R,4S,6R)-3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,4,6,10,14,16-hexamethylheptadeca-4,8,12,16-tetraenoic acid
Molecular FormulaC36H62O8
Molecular Weight622.9
XLogP5.4
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity1030
SMILES
CCC(C)C[C@@]1(C[C@@H]([C@H]([C@](O1)(C)/C=C(\C)/C(C(C)/C=C/C(C(C)/C=C/C(C(C)/C=C(\C)/C(C(C)C(=O)O)O)O)O)O)O)C)C
InChI
InChI=1S/C36H62O8/c1-12-21(2)18-35(10)19-27(8)33(41)36(11,44-35)20-26(7)31(39)23(4)14-16-29(37)22(3)13-15-30(38)24(5)17-25(6)32(40)28(9)34(42)43/h13-17,20-24,27-33,37-41H,12,18-19H2,1-11H3,(H,42,43)/b15-13+,16-14+,25-17+,26-20+/t21?,22?,23?,24?,27-,28?,29?,30?,31?,32?,33+,35+,36-/m0/s1
InChIKey
KEOVZXPDWAYZHM-HVHFDKRQSA-N
Chemical Structure
2D Structure
2D structure of Sporminarin A
CAS: 915403-42-8
CID: 12000279
Formula: C36H62O8
MW: 622.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.9
XLogP35.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass622.44446893
Monoisotopic Mass622.44446893
Topological Polar Surface Area148 Ų
Heavy Atom Count44
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N16443Sporminarin A
HY-N16444Sporminarin B

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