Structure Database (LMSD)
Common Name
Dalterpenoid A
Systematic Name
Synonyms
3D model of Dalterpenoid A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Daldinia sp.
(#1769485)
Sordariomycetes
(#147550)
A new abietane-type diterpenoid and a new long-chain alkenone from fungus Daldinia sp. TJ403-LS1.,
Nat Prod Res, 2020
Nat Prod Res, 2020
Pubmed ID:
32643425
String Representations
InChiKey (Click to copy)
BOWMWLRYFHYBLQ-XFKSJGNHSA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-11(2)12-6-7-14-13(8-12)15(21)9-17-19(3,4)18(23)16(22)10-20(14,17)5/h6-8,11,16-18,22-23H,9-10H2,1-5H3/t16-,17+,18+,20-/m0/s1
SMILES (Click to copy)
[C@@H]1(O)[C@@H](O)C[C@@]2(C)C3C=CC(C(C)C)=CC=3C(=O)C[C@]2([H])C1(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
322.39
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.99
Molar Refractivity
91.76
Admin
Created at
9th Jul 2020
Updated at
9th Jul 2020