Structure Database (LMSD)

O H H
Common Name
(+)-15-Beyeren-3-one
Systematic Name
Synonyms
LM ID
LMPR0104140002
Formula
C20H30O
Exact Mass
Calculate m/z
286.229665
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)
XRTFKEQRSMHTMN-DGWIIEBVSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-17(2)14-6-10-20-12-11-18(3,13-20)8-5-15(20)19(14,4)9-7-16(17)21/h11-12,14-15H,5-10,13H2,1-4H3/t14-,15+,18-,19-,20+/m1/s1
SMILES (Click to copy)
C1(=O)CC[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
15381927

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 308.63
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.15
Molar Refractivity 85.87

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Created at
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Updated at
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