Name: [15-[1-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-2,16-dimethyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-8,10-dien-6-yl] acetate
SMILES:
CC(C1CCC2C1(CCC3C2=CC=C4C3(C5C(O5)C(C4)OC(=O)C)C)C)C6OCC(CO6)(C)CMolecular Processing
Molecular formula
C29H42O5
Molecular weight
470.65
Exact mass
470.3032
XLogP
5.44
TPSA
57.29
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
34
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.828
Molar refractivity
128.79
Supplementary Information
InChIKey: UKQCXBAYZFAECF-UHFFFAOYSA-N
View source →Involved in 9 reactions→