Beyerol
Basic information
- CAS
6040-48-8- Standard SMILES
C[C@]1(CO)[C@H]2CC[C@@]34C=C[C@@](CO)(CC[C@H]3[C@]2(C)CC[C@H]1O)C4- InChIKey
HMKFWGVTZPRBQX-QMNUTNMBSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
(+)-Beyerol is a diterpenoid.
Names & identifiers
- Preferred name
- Beyerol
- IUPAC
- (1R,4S,5R,6R,9S,10S,13R)-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-ol
- English name
- (4R,8R,13R)-13-(Hydroxymethyl)-17-norkaur-15-ene-3α,18-diol
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
(+)-BeyerolBeyerol6040-48-8(+)-15-beyerene-3alpha,17,19-triolNSC83440CHEMBL1995589CHEBI:186011(4R,8R,13R)-13-(Hydroxymethyl)-17-norkaur-15-ene-3alpha,18-diolNSC-83440LMPR0104140003(1R,4S,5R,6R,9S,10S,13R)-5,13-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-6-olNCI60_041840
Show more names
(4R,8R,13R)-13-(Hydroxymethyl)-17-norkaur-15-ene-3α,18-diol17-Norkaur-15-ene-3,18-diol, 13-(hydroxymethyl)-, (3α,4α,8β,13β)- (9CI)
Database identifiers
- CAS
6040-48-8- PubChem CID
- 5352010
- ChEMBL
CHEMBL1995589- ChEBI
CHEBI:186011- Nikkaji
- J152.098I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Chemistry & industry
Additional notes
DefinitionChEBI: (+)-Beyerol is a diterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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