Kaur-16-en-15-ol
Basic information
- CAS
14696-30-1- Standard SMILES
C=C1[C@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@H]1O- InChIKey
TTZNRSPWNBMTAF-GKQOSVPQSA-N- Molecular formula
- C20H32O
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.24531564
Overview
structure given in first source
Names & identifiers
- Preferred name
- Kaur-16-en-15-ol
- IUPAC
- (1R,4R,9R,10S,13S,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol
- English name
- kaur-16-en-15-ol
- Molecular formula
- C20H32O
- Molecular weight
- 288.48
Names & synonyms
Kaur-16-en-15-ol14696-30-1DTXSID30932981RefChem:151019DTXCID801361657ent-kaur-16-en-15 beta-olEnt-kaur-16-en-15beta-olSCHEMBL19844094Kaur-16-en-15-ol, (15alpha)-(1R,4R,9R,10S,13S,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol5beta,8alpha,9beta,10alpha-Kaur-16-en-15alpha-ol(15R)-Kaur-16-en-15-ol
Show more names
Kaur-16-en-15-ol, (15α)- (9CI)
Database identifiers
- CAS
14696-30-1- PubChem CID
- 167145
- DTXSID
DTXSID30932981
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Boiling point
- 348.7 · 348.7±10.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 14.77 · 14.77±0.60(Predicted)
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Related reactions
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Compound notes
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