Fusicoccin

2-[8-[4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl acetate

Also Known As: Fusicoccin|Fucicoccin|Fusicoccin A|.alpha.-D-Glucopyranoside, 3-[2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-, 3-acetate, [1S-[1.alpha.,3(R*),4.alpha.,5.beta.,6.beta.,6a.alpha.,9.beta.,10a.beta.]]-|2-[8-[4-Acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl acetate|Fucicoccin; fusicoccin A; 3-[2-(Acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethylcyclopenta[a,d]-dicylo coten-4-yl-6; FUSICOCCIN;

Molecular Formula	C36H56O12
Molecular Weight	680.3772 g/mol
LogP	1.0
Topological Polar Surface Area	170.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	680.3772
Monoisotopic Mass	680.3772
Heavy Atoms	48
Complexity	1240.0

Chemical Identifiers

CAS Number	20108-30-9
SMILES	CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC
InChIKey	KXTYBXCEQOANSX-UHFFFAOYSA-N