Structure Database (LMSD)

Common Name
Erogorgiaene
Systematic Name
Synonyms
LM ID
LMPR0104480001
Formula
C20H30
Exact Mass
Calculate m/z
270.23475
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]
Serrulatane and biflorane diterpenoids [PR010448]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Antillogorgia elisabethae (#1352039)
Anthozoa (#6101)
Diterpenoids.,
Nat Prod Rep, 2003
Pubmed ID: 12636084

String Representations

InChiKey (Click to copy)
JWQVCYABIGUFIY-JENIJYKNSA-N
InChi (Click to copy)
InChI=1S/C20H30/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,11,13,16-17,19H,6,8,10,12H2,1-5H3/t16-,17-,19+/m0/s1
SMILES (Click to copy)
C1[C@H](C)C2C=CC(C)=CC=2[C@@H]([C@H](CC/C=C(/C)\C)C)C1

Other Databases

PubChem CID
9816893

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 308.38
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.36
Molar Refractivity 89.40

Admin

Created at
-
Updated at
30th Sep 2021