Hecolic acid
Basic information
- CAS
6875-62-3- Standard SMILES
CC1=C(C2CCC3CC(O)CCC3(C)C2CC(=O)O)CC2OC3(CCC(C)CO3)C(C)C12- InChIKey
NZWMGLZRGPLUOW-UHFFFAOYSA-N- Molecular formula
- C27H42O5
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.30322444
Names & identifiers
- Preferred name
- Hecolic acid
- IUPAC
- 2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid
Names & synonyms
HECOLIC ACID6875-62-3DTXSID00325366NSC409817NSC-4098172-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid[6-Hydroxy-8a-methyl-2-(3,4,5'-trimethyl-3,3a,6,6a-tetrahydrospiro[cyclopenta[b]furan-2,2'-oxan]-5-yl)decahydronaphthalen-1-yl]acetic acid
Database identifiers
- CAS
6875-62-3- PubChem CID
- 349909
- DTXSID
DTXSID00325366
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 791
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Related reactions
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Compound notes
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