Basic information
- CAS
79729-74-1- Standard SMILES
C=C1C(=O)C23C(OC(=O)CCCCCCCCCCCCCCC)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O- InChIKey
OYJIKEBRSYDFCO-UHFFFAOYSA-N- Molecular formula
- C36H58O7
- Average molar mass
- 602.8 g/mol
- Monoisotopic mass
- 602.41825418
Names & identifiers
- Preferred name
- KT-9 (From kyoto university)
- IUPAC
- (9,10,15-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-18-yl) hexadecanoate
Names & synonyms
NSC32403779729-74-1KT-9 (FROM KYOTO UNIVERSITY)DTXSID00330859NSC-3240371,6,7-Trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl hexadecanoate
Database identifiers
- CAS
79729-74-1- PubChem CID
- 433148
- DTXSID
DTXSID00330859
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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