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1233B

CAT: 0931-T73893-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T73893-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34668-61-6
Target
Antibiotic, Others, Antifungal
Related Pathways
Microbiology/Virology, Others
Bioactivity
1233B is a secondary metabolite derived from the filamentous fungus Fusarium sp. RK97-94 [1].
Smiles
CC(CCCCC(O)C(CO)C(O)=O)CC(C)=CC(C)=CC(O)=O
Molecular Formula
C18H30O6
Molecular Weight
342.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid

12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid is a long-chain fatty acid.

CAS Number34668-61-6
PubChem CID10405119
IUPAC Name(2E,4E)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
Molecular FormulaC18H30O6
Molecular Weight342.4
XLogP3.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count24
Formal Charge0
Complexity466
SMILES
CC(CCCCC(C(CO)C(=O)O)O)C/C(=C/C(=C/C(=O)O)/C)/C
InChI
InChI=1S/C18H30O6/c1-12(8-13(2)9-14(3)10-17(21)22)6-4-5-7-16(20)15(11-19)18(23)24/h9-10,12,15-16,19-20H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)/b13-9+,14-10+
InChIKey
QFZISQBFEIXWDM-UTLPMFLDSA-N
Chemical Structure
2D Structure
2D structure of 12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadienedioic acid
CAS: 34668-61-6
CID: 10405119
Formula: C18H30O6
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass342.20423867
Monoisotopic Mass342.20423867
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T88574-01BMS-1233
T201405-01ERD-1233

Alternative Products

CatalogName
GL0512-250ug1233B
MBS651545-011233B (12-Hydroxy-13- (hydroxymethyl) -3,5,7-trimethyl-2,4-tetradecadiene-1,14-dioic acid)

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