13-Isopropylpodocarpa-8,11,13-trien-16-oic acid
Basic information
- CAS
5155-70-4- Standard SMILES
CC(C)c1ccc2c(c1)CCC1[C@@](C)(C(=O)O)CCC[C@]21C- InChIKey
NFWKVWVWBFBAOV-GQXIWKRZSA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Names & identifiers
- Preferred name
- 13-Isopropylpodocarpa-8,11,13-trien-16-oic acid
- IUPAC
- (1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Names & synonyms
13-ISOPROPYLPODOCARPA-8,11,13-TRIEN-16-OIC ACID5155-70-4RefChem:236514CHEMBL2261553SCHEMBL20061641BDBM50487929
Database identifiers
- CAS
5155-70-4- PubChem CID
- 21235
- ChEMBL
CHEMBL2261553
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
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