Structure Database (LMSD)
Common Name
stemar-13-ene
Systematic Name
(4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene
Synonyms
3D model of stemar-13-ene
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)
MCRAOCBPZAIHJQ-QBYKVAOYSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1
SMILES (Click to copy)
C1([C@]2([H])CC[C@@]3([H])C=C(C)[C@@H]4CC[C@]3(C4)[C@@]2(C)CCC1)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
302.48
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.98
Molar Refractivity
85.48
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Created at
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Updated at
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