Structure Database (LMSD)

Common Name
(+)-Beyerol
Systematic Name
(+)-15-beyerene-3α,17,19-triol
Synonyms
LM ID
LMPR0104140003
Status
Active
Exact Mass
Calculate m/z
320.235145
Formula
C20H32O3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Beyerane diterpenoids [PR010414]

String Representations

InChiKey (Click to copy)
HMKFWGVTZPRBQX-QMNUTNMBSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-17-6-5-16(23)18(2,12-21)14(17)4-8-20-10-9-19(11-20,13-22)7-3-15(17)20/h9-10,14-16,21-23H,3-8,11-13H2,1-2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1
SMILES (Click to copy)
[C@@H]1(O)CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)CC[C@]2([H])[C@]1(C)CO)CO

References

Other Databases

CHEBI ID
186011
PubChem CID
5352010

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 328.85
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 3.75
Molar Refractivity 91.19

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Created at
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Updated at
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