Structure Database (LMSD)

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

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)
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
6th Feb 2022