LIPID MAPS

Structure Database (LMSD)

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Common Name

Clavirolide C

Systematic Name

Synonyms

LM ID

LMPR0104240019

Formula

C₂₀H₃₀O₃

Exact Mass

Calculate m/z

318.219495

Status

Curated

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)

YPAYJFSZNKIHQZ-FPRUZAOXSA-N

InChi (Click to copy)

InChI=1S/C20H30O3/c1-12-5-7-20(4)8-6-16-14(3)19(22)23-17(18(16)20)11-13(2)10-15(21)9-12/h12-13,17-18H,5-11H2,1-4H3/t12-,13+,17+,18-,20+/m0/s1

SMILES (Click to copy)

C1CC2=C(C)C(=O)O[C@@H]3C[C@H](C)CC(=O)C[C@@H](C)CC[C@@]1(C)[C@@]23[H]

Other Databases

PubChem CID

23426978

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 3

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 335.93

Topological Polar Surface Area 45.44

Hydrogen Bond Donors

Hydrogen Bond Acceptors 3

logP 4.74

Molar Refractivity 90.34

Admin

Created at

6th Feb 2022

Updated at