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Basic information
- CAS
106428-28-8- Standard SMILES
C=C1C(=O)[C@]23CCC4[C@](C)(CCC[C@@]4(C)C(=O)O)C2CC[C@@]1(O)C3- InChIKey
KZDTWBJGGIIKEG-MQGSYCHOSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Names & identifiers
- Preferred name
- 13-Hydroxy-15-oxokaur-16-en-18-oic acid
- IUPAC
- (1S,5R,9R,13R)-13-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Names & synonyms
13-Hydroxy-15-oxokaur-16-en-18-oic acidDTXSID10910000(5xi,9xi)-13-hydroxy-15-oxokaur-16-en-18-oic acid(1S,5R,9R,13R)-13-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Database identifiers
- CAS
106428-28-8- PubChem CID
- 60143
- DTXSID
DTXSID10910000
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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