Structure Database (LMSD)

Common Name
Novaxenicin D
Systematic Name
Synonyms
LM ID
LMPR01040143
Formula
C20H28O6
Exact Mass
Calculate m/z
364.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Xenia (#86539)
Anthozoa (#6101)
Diterpenoids.,
Nat Prod Rep, 2007
Pubmed ID: 18033582

String Representations

InChiKey (Click to copy)
QYSAEOBDCOBHDU-GVMFGWQHSA-N
InChi (Click to copy)
InChI=1S/C20H28O6/c1-11-7-16-17(26-16)20(4,24)6-5-13(15(11)10-21)14-8-12(25-18(14)22)9-19(2,3)23/h8-9,13,15-17,21,23-24H,1,5-7,10H2,2-4H3/b12-9+/t13-,15+,16-,17-,20+/m1/s1
SMILES (Click to copy)
[C@@]1([H])(C2=C/C(=C\C(C)(O)C)/OC2=O)CC[C@@](O)(C)[C@@H]2O[C@@H]2CC(=C)[C@]1([H])CO

Other Databases

PubChem CID
21778843

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 359.66
Topological Polar Surface Area 101.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.04
Molar Refractivity 97.44

Admin

Created at
11th May 2021
Updated at
11th May 2021