Structure Database (LMSD)

Common Name
Bourbonol
Systematic Name
Synonyms
LM ID
LMPR0103870002
Status
Active
Exact Mass
Calculate m/z
222.198365
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HNNQYJPDMHXZMQ-RHTUOURWSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@](O)(C)[C@]1([H])[C@@]1([H])[C@H](C(C)C)CC[C@]12C

References

Reference
Nat. Prod. Rep., 2004, 21, 594-624.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aristolochia (#12947)
Magnoliopsida (#3398)
Terpenoids of Aristolochia and their biological activities.,
Nat Prod Rep, 2004
Pubmed ID: 15459757

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 239.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.75
Molar Refractivity 66.51

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Updated at
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