(1R,2R,5R,7S,10R,11R,13R,15S,18S,19S,22R)-15-[(1S)-1-hydroxyethyl]-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.115,18.02,11.05,10.019,22]tricosan-7-ol
Basic information
- Standard SMILES
C[C@H](O)[C@]12CC[C@](C)(O1)[C@H]1CC[C@]3(C)[C@@H]1[C@@H](C[C@@H]1[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]13C)O2- InChIKey
APPPXTMUUWJGRZ-NNVISGGKSA-N- Molecular formula
- C29H48O4
- Average molar mass
- 460.7 g/mol
- Monoisotopic mass
- 460.35526002
Names & identifiers
- Preferred name
- (1R,2R,5R,7S,10R,11R,13R,15S,18S,19S,22R)-15-[(1S)-1-hydroxyethyl]-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.115,18.02,11.05,10.019,22]tricosan-7-ol
- IUPAC
- (1R,2R,5R,7S,10R,11R,13R,15S,18S,19S,22R)-15-[(1S)-1-hydroxyethyl]-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.115,18.02,11.05,10.019,22]tricosan-7-ol
Names & synonyms
CHEMBL1669122
Database identifiers
- ChEMBL
CHEMBL1669122
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 841
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Compound notes
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