Structure Database (LMSD)

Common Name
(+)-Vulgraon B
Systematic Name
(+)-3-longipinen-5-one
Synonyms
LM ID
LMPR0103490003
Formula
C16H24
Exact Mass
Calculate m/z
216.1878
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]
Longipinane sesquiterpenoids [PR010349]

String Representations

InChiKey (Click to copy)
XHHIKHVPBSQUIJ-RWJFHBPKSA-N
InChi (Click to copy)
InChI=1S/C16H24/c1-10-9-11(2)13-14-12(10)16(13,5)8-6-7-15(14,3)4/h9,12-14H,1,6-8H2,2-5H3/t12?,13?,14?,16-/m1/s1
SMILES (Click to copy)
C12C(=C)C=C(C)C3[C@]1(C)CCCC(C)(C)C23

Other Databases

PubChem CID
42608169

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 235.40
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.58
Molar Refractivity 69.11

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Created at
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Updated at
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