Curcarabranol B
Basic information
- CAS
213746-17-9- Standard SMILES
CC(=O)CC[C@@H]1[C@H]2C[C@H](C(C)(C)O)C(=O)C[C@@]12C- InChIKey
FARHRLFSUJIINR-FJJYHAOUSA-N- Molecular formula
- C15H24O3
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.17254462
Overview
Curcarabranol B has been reported in Curcuma zedoaria with data available.
Names & identifiers
- Preferred name
- Curcarabranol B
- IUPAC
- (1S,4R,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one
Names & synonyms
Curcarabranol B213746-17-9(1S,4R,6R,7R)-4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-(3-OXOBUTYL)BICYCLO[4.1.0]HEPTAN-3-ONEBicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4R,6R,7R)-(1S,4R,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo(4.1.0)heptan-3-oneRefChem:128858
Database identifiers
- CAS
213746-17-9- PubChem CID
- 154168
- Nikkaji
- J981.692E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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