Basic information
- CAS
82537-86-8- Standard SMILES
C=C(C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)CCC23C)C1(C)CCC(=O)O- InChIKey
DPUBTAIUQYXFDA-UHFFFAOYSA-N- Molecular formula
- C38H61NO8
- Average molar mass
- 659.9 g/mol
- Monoisotopic mass
- 659.4397179
Names & identifiers
- Preferred name
- Lansiodide A
- IUPAC
- 3-[2-[2-[6-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
Names & synonyms
Lansiodide ADTXSID00331104RefChem:351070DTXCID10282198NSC367117NSC-3671173-[2-(2-{6-[(2-Acetamido-2-deoxyhexopyranosyl)oxy]-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid
Database identifiers
- CAS
82537-86-8- PubChem CID
- 435293
- DTXSID
DTXSID00331104
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,230
Experimental & physicochemical properties
Melting Point174 - 175 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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