LIPID MAPS

Structure Database (LMSD)

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Common Name

Clavurol B

Systematic Name

Synonyms

LM ID

LMPR0104240005

Formula

C₂₂H₃₄O₃

Exact Mass

Calculate m/z

346.250795

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

OPQAIZPWBRDGPD-UNHHPSKZSA-N

InChi (Click to copy)

InChI=1S/C22H34O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9,19,24H,1,7-8,10-14H2,2-6H3/b16-9+/t19-,22-/m1/s1

SMILES (Click to copy)

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

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

Other Databases

PubChem CID

171119633

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 2

Aromatic Rings

Rotatable Bonds 3

Van der Waals Molecular Volume 380.25

Topological Polar Surface Area 46.53

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.83

Molar Refractivity 103.22

Admin

Created at

6th Feb 2022

Updated at