Basic information
- CAS
156848-67-8- Standard SMILES
C=C1CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(O)c(C=O)cc1O- InChIKey
KYHAUNCXNLJHDG-ALOBAPJISA-N- Molecular formula
- C22H29BrO3
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 420.13001
Overview
Peyssonol A has been reported in Peyssonnelia with data available.
Names & identifiers
- Preferred name
- Peyssonol A
- IUPAC
- 4-[[(1R,4aS,6S,8aR)-6-bromo-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,5-dihydroxybenzaldehyde
Names & synonyms
Peyssonol A156848-67-8DTXSID101661414-[[(1R,4aS,6S,8aR)-6-bromo-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2,5-dihydroxybenzaldehyde4-(((1R,4aS,6S,8aR)-6-bromo-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl)-2,5-dihydroxybenzaldehydeRefChem:172205DTXCID40886324-[[(1R,4aS,6S,8aR)-6-bromo-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]-2,5-dihydroxy-benzaldehydeCHEMBL2347283SCHEMBL159783154-((6-Bromodecahydro-5,5,8a-trimethyl-2-methylene-1-naphthylenyl)methyl)-2,5-dihydroxybenzaldehyde, (1alpha,4beta,6beta,8abeta)-(+)-4-[(6-Bromodecahydro-5,5,8a-trimethyl-2-methylene-1-naphthylenyl)methyl]-2,5- dihydroxybenzaldehyde, (1.alpha.,4.beta.,6.beta.,8a.beta)-(+)-
Show more names
4-{[(1R,4aS,6S,8aR)-6-Bromo-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]methyl}-2,5-dihydroxybenzaldehyde
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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