Structure Database (LMSD)

OH O HO H H
Common Name
(+)-7beta-Hydroxy-15-beyeren-19-oic acid
Systematic Name
Synonyms
LM ID
LMPR0104140004
Formula
C20H30O3
Exact Mass
Calculate m/z
318.219495
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)
JBZBBYSLHBTTHB-ZWOHWCSTSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-17-8-5-13-18(2)6-4-7-19(3,16(22)23)14(18)11-15(21)20(13,12-17)10-9-17/h9-10,13-15,21H,4-8,11-12H2,1-3H3,(H,22,23)/t13-,14-,15-,17+,18-,19+,20+/m0/s1
SMILES (Click to copy)
C1CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)[C@@H](O)C[C@]2([H])[C@@]1(C(=O)O)C)C

References

Other Databases

CHEBI ID
186805
PubChem CID
42608220

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 326.21
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.30
Molar Refractivity 89.35

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Created at
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Updated at
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