Structure Database (LMSD)

HO O H H
Common Name
9beta-pimara-7,15-dien-19-oic acid
Systematic Name
9β-pimara-7,15-dien-19-oic acid
Synonyms
LM ID
LMPR0104080011
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
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]
Pimarane diterpenoids [PR010408]

String Representations

InChiKey (Click to copy)
MXYATHGRPJZBNA-BDUQCRIQSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16-,18-,19-,20+/m1/s1
SMILES (Click to copy)
C1CC[C@]2(C)[C@]3([H])CC[C@](C=C)(C)CC3=CC[C@@]2([H])[C@@]1(C)C(O)=O

References

Other Databases

CHEBI ID
63731
PubChem CID
12311180

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 327.14
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.21
Molar Refractivity 89.54

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Created at
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Updated at
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