Structure Database (LMSD)
Common Name
Germacrene B
Systematic Name
Synonyms
3D model of Germacrene B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
Biological Context
Germacrene B is a sesquiterpene that has been found in P. cablin (patchouli).1
This information has been provided by Cayman Chemical
References
1. Hasegawa, Y., Tajima, K., Toi, N., et al. An additional constituent occurring in the oil from a patchouli cultivar. Flavour Fragr. J. 7, 333-335 (1992).
String Representations
InChiKey (Click to copy)
GXEGJTGWYVZSNR-SJRHNVSNSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+
SMILES (Click to copy)
C1(=C(/C)\C)\CC=C(C)CCC=C(C)CC\1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
247.78
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.18
Molar Refractivity
68.97
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Updated at
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