Structure Database (LMSD)

Common Name
Clavuperoxylide A
Systematic Name
Synonyms
LM ID
LMPR0104240006
Formula
C22H34O4
Exact Mass
Calculate m/z
362.24571
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)
SUCIEBLYOXTRNG-UNHHPSKZSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)26-24)11-13-22(20,6)12-10-15/h9,19,24H,1,7-8,10-14H2,2-6H3/b16-9+/t19-,22-/m1/s1
SMILES (Click to copy)
C1CC(C(OO)(C)C)=C2[C@H](OC(C)=O)CC(C)=CCCC(=C)CC[C@]12C

Other Databases

PubChem CID
171119630

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 389.04
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.49
Molar Refractivity 104.58

Admin

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