Structure Database (LMSD)

Common Name
Clavurol C
Systematic Name
Synonyms
LM ID
LMPR0104240008
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Dolabellane and modified dolabellane diterpenoids [PR010424]

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)
CKNMAKIWPBIZGG-NDNTUKDLSA-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/h8,18-19,21H,3,6-7,9-13H2,1-2,4-5H3/b16-8+/t18-,19+,20-/m1/s1
SMILES (Click to copy)
CC(=C1CC[C@@]2(C)CCC(=C)CC/C=C(\C)/C[C@H]([C@H]12)O)C

Other Databases

PubChem CID
171119634

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
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
6th Feb 2022