35S-Methylokadaic acid 7-hexadecanoate

3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hexadecanoyloxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid

Also Known As: 7-o-palmitoyldinophysistoxin 1|35S-Methylokadaic acid 7-hexadecanoate|3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hexadecanoyloxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid|3-[4-[(E)-4-[2-[3-(3,7-dimethyl-5,11-dioxaspiro[5.5]undecan-4-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hexadecanoyloxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-hydroxy-2-methylpropanoic acid|3-{8-[(3E)-4-[6'-(3-{3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}-1-hydroxybutyl)-8'-hydroxy-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-(hexadecanoyloxy)-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-2-hydroxy-2-methylpropanoic acid

Molecular Formula	C61H100O14
Molecular Weight	1056.7113 g/mol
LogP	11.4918
Topological Polar Surface Area	188.9 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	25
Exact Mass	1056.7113
Monoisotopic Mass	1056.7113
Heavy Atoms	75
Complexity	1902.7886

Chemical Identifiers

CAS Number	97564-96-0
SMILES	CCCCCCCCCCCCCCCC(=O)OC1CCC(OC12C=C(CC(O2)C(C)/C=C/C3CCC4(O3)CCC5C(O4)C(C(=C)C(O5)C(CC(C)C6C(CCC7(O6)C(CCCO7)C)C)O)O)C)CC(C)(C(=O)O)O