Structure database (LMSD)

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LM IDLMPR0103230002
Common Name-
Systematic Name5-bromo-1-isopropyl-2,5a-dimethyl-decahydro-cyclopropa[a]inden-2-ol
Synonyms-
Exact Mass
300.1089 (neutral)    Calculate m/z:
FormulaC15H25OBr
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cycloeudesmane sesquiterpenoids [PR010323]
PubChem CID-
InChIKeyJIDXTBJRBDRLBV-UWGWRVQFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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]
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StatusActive
ReferencesThe First 6,8-Cycloeudesmane Sesquiterpene from a Marine Organism: The
Red Seaweed Laurencia microcladia from the Baia di Calenzana, Elba Island
Z. Naturforsch 2014
DOI: 10.1515/znb-2002-1012
Calculated physicochemical properties (?):
 Heavy Atoms17Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
259.05Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.41Molar
Refractivity
75.12