Ascochlorin

5-chloro-2,4-dihydroxy-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]benzaldehyde

Also Known As: Ascochlorin|Ilicicolin D|LL-Z 1272 gamma|Antibiotic LL-Z1272 gamma|3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)benzaldehyde (1R-(1alpha(2E,4E),2beta,6beta))-|5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4Z)-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]benzaldehyde|5-chloro-2,4-dihydroxy-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]benzaldehyde

Molecular Formula	C23H29ClO4
Molecular Weight	404.17545 g/mol
LogP	5.56
Topological Polar Surface Area	74.6 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	404.17545
Heavy Atoms	28
Complexity	852.9

Chemical Identifiers

CAS Number	26166-39-2
SMILES	CC1CCC(=O)C(C1(C)C=CC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)C