Structure Database (LMSD)

H H
Common Name
(+)-15-Beyerene
Systematic Name
Synonyms
LM ID
LMPR0104140001
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
GXMKKDDGINQVBE-LHDHZVESSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3/t15-,16+,18-,19-,20+/m1/s1
SMILES (Click to copy)
C1CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)CC[C@]2([H])C1(C)C)C

References

Other Databases

PubChem CID
107412

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.48
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.98
Molar Refractivity 85.48

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Created at
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Updated at
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