Description
6,11-Di-O-acetylalbrassitriol is produced from the fungus Penicillium sp.
Synonyms
1,4-Naphthalenediol, 1-[(acetyloxy)methyl]-1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, 4-acetate, [1R-(1α,4α,4aα,8aβ)]-
IUPAC Name
[(1R,4S,4aS,8aS)-4-acetyloxy-1-hydroxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
Molecular Formula
C19H30O5
Canonical SMILES
CC1=CC(C2C(CCCC2(C1(COC(=O)C)O)C)(C)C)OC(=O)C
InChI
InChI=1S/C19H30O5/c1-12-10-15(24-14(3)21)16-17(4,5)8-7-9-18(16,6)19(12,22)11-23-13(2)20/h10,15-16,22H,7-9,11H2,1-6H3/t15-,16-,18-,19+/m0/s1
InChIKey
FFFMHWNOQJZHOI-PBWTXFEYSA-N
Boiling Point
405.6±45.0°C (Predicted)
Density
1.11±0.1 g/cm3 (Predicted)
Solubility
Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO