Structure Database (LMSD)

Common Name
Ovoideal E
Systematic Name
Synonyms
LM ID
LMPR0104100006
Formula
C20H28O3
Exact Mass
Calculate m/z
316.203845
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]
Cleistanthane and isocleistanthane diterpenoids [PR010410]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cicca acida (#260718)
Magnoliopsida (#3398)
A new diterpenoid from the leaves of Phyllanthus acidus.,
Nat Prod Res, 2020
Pubmed ID: 32643407

String Representations

InChiKey (Click to copy)
QHBVEFZXLDZKEW-FPNZGKMQSA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-6-13-12(2)14(21)11-16-19(5)9-8-17(22)18(3,4)15(19)7-10-20(13,16)23/h6,11,15,17,22-23H,1,7-10H2,2-5H3/t15?,17-,19-,20+/m1/s1
SMILES (Click to copy)
C1C[C@@H](O)C(C)(C)C2CC[C@]3(O)C(C=C)=C(C)C(=O)C=C3[C@]12C

Other Databases

PubChem CID
171120909

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 333.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.90
Molar Refractivity 91.81

Admin

Created at
9th Jul 2020
Updated at
9th Jul 2020