Basic information
- CAS
81078-05-9- Standard SMILES
C=C1C(=O)C23C(OC(=O)CCCCCCCCC)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O- InChIKey
KWUAMZOEZSIYNK-UHFFFAOYSA-N- Molecular formula
- C30H46O7
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.3243538
Names & identifiers
- Preferred name
- KT-6 (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) decanoate
Names & synonyms
NSC32403481078-05-9KT-6 (FROM KYOTO UNIVERSITY)DTXSID20330856NSC-3240341,6,7-Trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl decanoate
Database identifiers
- CAS
81078-05-9- PubChem CID
- 433145
- DTXSID
DTXSID20330856
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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