Structure Database (LMSD)

Common Name
Acutilol A
Systematic Name
Synonyms
LM ID
LMPR0104470001
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dictyota acutiloba (#381667)
Phaeophyceae (#2870)
Acutilols, potent herbivore feeding deterrents from the tropical brown alga, Dictyota acutiloba,
Phytochemistry, 1996

String Representations

InChiKey (Click to copy)
YBQDGKYVLDZIDN-SGKAGNBOSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-12-6-10-16(13(2)8-11-17-20(4,5)22-17)19(21)18-14(3)7-9-15(12)18/h7,13,16-19,21H,6,8-11H2,1-5H3/t13-,16+,17?,18-,19-/m1/s1
SMILES (Click to copy)
[C@]12([H])[C@H](O)[C@]([H])([C@H](C)CCC3OC3(C)C)CCC(C)=C1CC=C2C

Other Databases

KEGG ID
C09057
CHEBI ID
2451
PubChem CID
441999

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 329.78
Topological Polar Surface Area 32.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.49
Molar Refractivity 92.18

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Updated at
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