LIPID MAPS

Structure Database (LMSD)

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Common Name

Clavurol A

Systematic Name

Synonyms

LM ID

LMPR0104240004

Formula

C₂₀H₃₂O

Exact Mass

Calculate m/z

288.245315

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Clavularia viridis (#153213)

Anthozoa (#6101)

Dolabellane Diterpenoids from the Xisha Soft Coral Clavularia viridis.,
ACS Omega, 2022

Pubmed ID: 35097299

String Representations

InChiKey (Click to copy)

VCHJFZOXKFCMJG-PTJWRWIXSA-N

InChi (Click to copy)

InChI=1S/C20H32O/c1-14(2)17-10-12-20(5)11-9-15(3)7-6-8-16(4)13-18(21)19(17)20/h8,14,18,21H,3,6-7,9-13H2,1-2,4-5H3/b16-8+/t18-,20-/m1/s1

SMILES (Click to copy)

C1CC(C(C)C)=C2[C@H](O)CC(C)=CCCC(=C)CC[C@]12C

Other Databases

PubChem CID

171119632

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 2

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 330.71

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 5.85

Molar Refractivity 91.71

Admin

Created at

6th Feb 2022

Updated at