Structure Database (LMSD)
Common Name
beta-Isorenieratene
Systematic Name
Synonyms
3D model of beta-Isorenieratene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NMMZEYGYFYIADS-FOHJNKRASA-N
InChi (Click to copy)
InChI=1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+
SMILES (Click to copy)
C1(C)C(=C(C=CC=1C)C)/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
2
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
630.62
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
12.16
Molar Refractivity
181.61
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Created at
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Updated at
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