Structure Database (LMSD)
Common Name
(+)-5-epi-aristolochene
Systematic Name
(4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 4βH-eremophila-9,11-diene
Synonyms
- epi-aristolochene
3D model of (+)-5-epi-aristolochene
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
String Representations
InChiKey (Click to copy)
YONHOSLUBQJXPR-UMVBOHGHSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1
SMILES (Click to copy)
C12CCC[C@@H](C)[C@]1(C[C@H](C(C)=C)CC=2)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
238.06
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.73
Molar Refractivity
66.74
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Created at
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Updated at
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