methyl (1R,11S,15S,16R)-16-hydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate
Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)CC1[C@]3(C)CCC4C(C)(C)CC[C@@H](O)[C@]4(C)C3CC[C@]1(C)O2- InChIKey
XNFPFYUEZQFCLA-XUYFLUFYSA-N- Molecular formula
- C28H40O4
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.29265975
Names & identifiers
- Preferred name
- methyl (1R,11S,15S,16R)-16-hydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate
- IUPAC
- methyl (1R,11S,15S,16R)-16-hydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate
Names & synonyms
DTXSID301319344
Database identifiers
- PubChem CID
- 155802421
- DTXSID
DTXSID301319344
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 763
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Compound notes
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