Basic information
- CAS
61102-55-4- Standard SMILES
CCSCC1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O- InChIKey
RIWWYPPCBAITIK-UHFFFAOYSA-N- Molecular formula
- C22H34O6S
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.20760997
Names & identifiers
- Preferred name
- Kauranone deriv
- IUPAC
- 6-(ethylsulfanylmethyl)-9,10,15,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Names & synonyms
61102-55-4NSC326238KAURANONE DERIVDTXSID30976623NSC-32623817-(Ethylsulfanyl)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
Database identifiers
- CAS
61102-55-4- PubChem CID
- 433259
- DTXSID
DTXSID30976623
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 728
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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