Structure Database (LMSD)

Common Name
(-)-8beta-Presilphiperfolanol
Systematic Name
Synonyms
LM ID
LMPR0103750002
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Active
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]
Silphinane, silphiperfoliane and presilphiperfoliane sesquiterpenoids [PR010375]

String Representations

InChiKey (Click to copy)
ZCRYDCBITZERMT-PRSHDEELSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m0/s1
SMILES (Click to copy)
[C@@]12(O)[C@H]3[C@@H](C)CC[C@@H]1C(C)(C)C[C@@]2(C)CC3

Other Databases

PubChem CID
42608190

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 239.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.90
Molar Refractivity 66.58

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Created at
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Updated at
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