LIPID MAPS

Structure Database (LMSD)

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Common Name

15-hydroxycembra-1,3,7,11-tetraene

Systematic Name

15-hydroxycembra-1,3,7,11-tetraene

Synonyms

LM ID

LMPR01040116

Formula

C₂₀H₃₂O

Exact Mass

Calculate m/z

288.245315

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sarcophyton trocheliophorum (#205097)

Anthozoa (#6101)

Further new cembranoids from the South China Sea soft coral Sarcophyton trocheliophorum.,
Fitoterapia, 2021

Pubmed ID: 33819542

String Representations

InChiKey (Click to copy)

ZMOGGFHLMLYADA-CAJARFHCSA-N

InChi (Click to copy)

InChI=1S/C20H32O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,14,21H,6-7,9-10,13,15H2,1-5H3/b16-8+,17-12+,18-11+,19-14+

SMILES (Click to copy)

C1=C(C(O)(C)C)CCC(C)=CCCC(C)=CCCC(C)=C1

Other Databases

PubChem CID

11044431

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 1

Aromatic Rings 0

Rotatable Bonds 1

Van der Waals Molecular Volume 340.43

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 6.16

Molar Refractivity 93.87

Admin

Created at

13th Apr 2021

Updated at