Structure Database (LMSD)

Systematic Name
5-bromo-1-isopropyl-2,5a-dimethyl-decahydro-cyclopropa[a]inden-2-ol
Synonyms
LM ID
LMPR0103230002
Formula
C15H25OBr
Exact Mass
Calculate m/z
300.108876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cycloeudesmane sesquiterpenoids [PR010323]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Laurencia (#99900)
Florideophyceae (#2806)
The First 6,8-Cycloeudesmane Sesquiterpene from a Marine Organism: The Red Seaweed Laurencia microcladia from the Baia di Calenzana, Elba Island,
Z. Naturforsch, 2014

String Representations

InChiKey (Click to copy)
JIDXTBJRBDRLBV-UWGWRVQFSA-N
InChi (Click to copy)
InChI=1S/C15H25BrO/c1-8(2)11-9-7-14(3)10(16)5-6-15(4,17)13(14)12(9)11/h8-13,17H,5-7H2,1-4H3/t9-,10-,11-,12-,13+,14+,15+/m0/s1
SMILES (Click to copy)
C1[C@@](C)(O)[C@@]2([C@@]3([H])[C@@](C[C@]2(C)[C@@H](Br)C1)([C@@H]3C(C)C)[H])[H]

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 259.05
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.41
Molar Refractivity 75.12

Admin

Created at
8th Jan 2021
Updated at
8th Jan 2021