Structure Database (LMSD)

Common Name
(+)-1(10)-Aristolene
Systematic Name
Synonyms
LM ID
LMPR0103270001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Aristolane sesquiterpenoids [PR010327]

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2000, 17, 483-504.

String Representations

InChiKey (Click to copy)
MBIPADCEHSKJDQ-CDALTGITSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12?,13+,15+/m1/s1
SMILES (Click to copy)
C1C=C2CCC3[C@@](C)(C)[C@H]3[C@@]2(C)[C@H](C)C1

Other Databases

PubChem CID
42608147

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 64.58

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Updated at
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