17-Hydroxy-5',7,9,14-tetramethylspiro[5,10-dioxapentacyclo[11.8.0.02,9.04,8.014,19]henicosane-6,2'-oxane]-11-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
469-13-6- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)OC3(C)C1C2C- InChIKey
SIDPZFOCVWRMEX-UHFFFAOYSA-N- Molecular formula
- C27H42O5
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.30322444
Names & identifiers
- Preferred name
- 17-Hydroxy-5',7,9,14-tetramethylspiro[5,10-dioxapentacyclo[11.8.0.02,9.04,8.014,19]henicosane-6,2'-oxane]-11-one
- IUPAC
- 17-hydroxy-5',7,9,14-tetramethylspiro[5,10-dioxapentacyclo[11.8.0.02,9.04,8.014,19]henicosane-6,2'-oxane]-11-one
Names & synonyms
NSC192734469-13-6CHEMBL1970232DTXSID90963690NSC-192734NCI60_001613hydroxy-5'-tetramethyl-spiro[[?]-2,2'-tetrahydropyran]one2-Hydroxy-4a,5',7a,8-tetramethylhexadecahydrospiro[furo[2',3':4,5]cyclopenta[1,2-b]naphtho[2,1-d]oxepine-9,2'-oxan]-6(1H)-one
Database identifiers
- CAS
469-13-6- PubChem CID
- 303607
- DTXSID
DTXSID90963690- ChEMBL
CHEMBL1970232
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 784
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Compound notes
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