Structure Database (LMSD)

H H H
Common Name
(-)-4,10(20),14-Bifloratriene
Systematic Name
Synonyms
LM ID
LMPR0104480002
Formula
C20H32
Exact Mass
Calculate m/z
272.2504
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Serrulatane and biflorane diterpenoids [PR010448]

String Representations

InChiKey (Click to copy)
JMUSJUUKPWCCDS-NBYUQASBSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,13,16,18-20H,5-6,8-12H2,1-4H3/t16-,18+,19+,20-/m0/s1
SMILES (Click to copy)
C1C(=C)[C@@]2([H])CCC(C)=C[C@]2([H])[C@@]([H])([C@@H](C)CC/C=C(\C)/C)C1

References

Other Databases

PubChem CID
42608263

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 321.92
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.31
Molar Refractivity 89.66

Admin

Created at
-
Updated at
-