Structure Database (LMSD)

OH HO OH O H
Common Name
(-)-8,16-Dihydroxy-19-serrulatanoic acid
Systematic Name
Synonyms
LM ID
LMPR0104480003
Formula
C20H30O4
Exact Mass
Calculate m/z
334.21441
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]
Serrulatane and biflorane diterpenoids [PR010448]

String Representations

InChiKey (Click to copy)
MZFHFVCNGLTFGX-ONGAXQOZSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-12(6-5-9-20(3,4)24)18-16-11-14(19(22)23)7-8-15(16)13(2)10-17(18)21/h7-8,11-13,17-18,21,24H,5-6,9-10H2,1-4H3,(H,22,23)/t12-,13+,17?,18+/m0/s1
SMILES (Click to copy)
C1[C@@H](C)C2C=CC(C(O)=O)=CC=2[C@@]([H])([C@@H](C)CCCC(O)(C)C)C1O

References

Other Databases

PubChem CID
42608264

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 343.54
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.49
Molar Refractivity 95.52

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Created at
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Updated at
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