Name: (1S,2R,5S,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol
SMILES:
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)O)C)O4)CMolecular Processing
Molecular formula
C27H46O2
Molecular weight
402.66
Exact mass
402.3498
XLogP
6.6
TPSA
32.76
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
10
Undefined stereo
10
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
118.57
Supplementary Information
InChIKey: PRYIJAGAEJZDBO-MQXRBXAXSA-N
Synonyms
6a-cholesterol oxideSCHEMBL13126655,6alpha-epoxicholestan-3beta-olPRYIJAGAEJZDBO-MQXRBXAXSA-N
Involved in 5 reactions→