Structure Database (LMSD)

Common Name
Clavufuranolide C
Systematic Name
Synonyms
LM ID
LMPR0104240014
Formula
C20H30O
Exact Mass
Calculate m/z
286.229665
Status
Active
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)
GWFUANKORWPORG-PLLMSKFTSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-14-7-6-8-15(2)13-17-18-16(19(3,4)21-17)10-12-20(18,5)11-9-14/h8,10,17-18H,1,6-7,9,11-13H2,2-5H3/b15-8+/t17-,18+,20-/m1/s1
SMILES (Click to copy)
C1C=C2C(O[C@@H]3CC(C)=CCCC(=C)CC[C@@]1(C)[C@@]23[H])(C)C

Other Databases

PubChem CID
171119629

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume 318.35
Topological Polar Surface Area 11.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 6.16
Molar Refractivity 90.26

Admin

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