Basic information
- CAS
120852-64-4- Standard SMILES
C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@]4(C)C(=O)O)[C@@H]3CC1)C2- InChIKey
MVCPPAWXGSLXQJ-AFMPOKAISA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
Beyer-15-en-18-oic acid has been reported in Rhodanthe floribunda with data available.
Names & identifiers
- Preferred name
- Beyer-15-en-18-oic acid
- IUPAC
- (1R,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
- English name
- beyer-15-en-18-oic acid
- Molecular formula
- C20H30O2
- Molecular weight
- 302.45
Names & synonyms
Beyer-15-en-18-oic acid120852-64-4Ent-beyer-15-en-18-oic acidDTXSID40923582(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid(1R,4S,5S,9S,10S,13S)-5,9,13-trimethyltetracyclo(11.2.1.01,10.04,9)hexadec-14-ene-5-carboxylic acidRefChem:119579DTXCID201352432beyer-15-en-19-oic acid17-Norkaur-15-en-18-oic acid, 13-methyl-, (4beta,8beta,13beta)-17-Norkaur-15-en-18-oic acid, 13-methyl-, (4β,8β,13β)- (9CI)
Database identifiers
- CAS
120852-64-4- PubChem CID
- 149083
- DTXSID
DTXSID40923582- Nikkaji
- J473.757A
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- Boiling point
- 416.851 · 416.851±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.108 · 1.108±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.696 · 4.696±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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