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Fusicoccin H

CAT: 0804-HY-N14394Size: 1 EachDry Ice: NoHazardous: No
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Description
Fusicoccin H is a metabolite of Fusicoccum amygdali[1].
CAS Number
50906-51-9
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
C[C@@]1(/C=C2[C@](CC[C@@H]\2CO)([H])[C@H]([C@H]3O)C)C([C@H]3O[C@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)=C(C(C)C)CC1
Molecular Formula
C26H42O8
Molecular Weight
482.61
References & Citations
[1]Albertus H de Boer, et al. The fusicoccin story revisited. J Exp Bot. 2024 Sep 27;75 (18) :5531-5546.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(4R,5R,6R,6aS,9S,10aR)-1,2,4,5,6,6a,7,8,9,10a-Decahydro-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta(a,d)cycloocten-4-yl alpha-D-glucopyranoside

Fusicoccin H is a terpene glycoside.

CAS Number50906-51-9
PubChem CID5281364
IUPAC Name(2S,3R,4S,5S,6R)-2-[[(1E,3R,8R,9R,10R,11S,14S)-9-hydroxy-14-(hydroxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC26H42O8
Molecular Weight482.6
XLogP0.5
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity809
SMILES
C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO
InChI
InChI=1S/C26H42O8/c1-12(2)15-7-8-26(4)9-17-14(10-27)5-6-16(17)13(3)20(29)24(19(15)26)34-25-23(32)22(31)21(30)18(11-28)33-25/h9,12-14,16,18,20-25,27-32H,5-8,10-11H2,1-4H3/b17-9-/t13-,14-,16+,18-,20-,21-,22+,23-,24-,25-,26-/m1/s1
InChIKey
FQPATHNUIPAADA-BXJVKJQWSA-N
Chemical Structure
2D Structure
2D structure of (4R,5R,6R,6aS,9S,10aR)-1,2,4,5,6,6a,7,8,9,10a-Decahydro-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta(a,d)cycloocten-4-yl alpha-D-glucopyranoside
CAS: 50906-51-9
CID: 5281364
Formula: C26H42O8
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass482.28796829
Monoisotopic Mass482.28796829
Topological Polar Surface Area140 Ų
Heavy Atom Count34
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes