LIPID MAPS

Structure Database (LMSD)

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Common Name

Clavuperoxylide B

Systematic Name

Synonyms

LM ID

LMPR0104240007

Formula

C₂₀H₃₀O₂

Exact Mass

Calculate m/z

302.22458

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

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)

LAGJFCKHWJTZEM-BAZHHEEASA-N

InChi (Click to copy)

InChI=1S/C20H30O2/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)22-21-17)10-12-20(18,5)11-9-14/h8,17H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,20-/m1/s1

SMILES (Click to copy)

C1CC2C(C)(OO[C@@H]3CC(C)=CCCC(=C)CC[C@@]1(C)C=23)C

Other Databases

PubChem CID

171119631

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 3

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 327.14

Topological Polar Surface Area 22.60

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 6.23

Molar Refractivity 91.41

Admin

Created at

6th Feb 2022

Updated at