Structure Database (LMSD)

Common Name
Clavurol D
Systematic Name
Synonyms
LM ID
LMPR0104240009
Formula
Exact Mass
Calculate m/z
304.24023
Status
Curated

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)
XKEWESAQXLOVQU-NJODACCNSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-14-6-5-7-15(2)12-18(22)19-17(16(3)13-21)9-11-20(19,4)10-8-14/h7,18-19,21-22H,1,5-6,8-13H2,2-4H3/b15-7+,17-16-/t18-,19+,20-/m1/s1
SMILES (Click to copy)
C1C/C(=C(/CO)\C)/[C@@]2([H])[C@H](O)CC(C)=CCCC(=C)CC[C@]12C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 339.50
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 5.11
Molar Refractivity 93.61

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Created at
6th Feb 2022
Updated at
6th Feb 2022