Structure Database (LMSD)

Common Name
4,5-(methanoxy-2-methylethano)isolongifol-4-ene
Systematic Name
(1S,12S)-2,2,8,11,11-pentamethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)]pentadec-4(9)-ene
Synonyms
  • 2,2,8,11,11-pentamethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)]pentadec-4(9)-ene
LM ID
LMPR0103500013
Formula
C19H30O
Exact Mass
Calculate m/z
274.229665
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]
Longifolane sesquiterpenoids [PR010350]

String Representations

InChiKey (Click to copy)
WORODHPCRUJQIA-UJZFSRJTSA-N
InChi (Click to copy)
InChI=1S/C19H30O/c1-12-10-20-11-13-8-17(2,3)19-7-6-14(9-19)18(4,5)16(19)15(12)13/h12,14,16H,6-11H2,1-5H3/t12?,14-,16?,19-/m0/s1
SMILES (Click to copy)
C1C[C@]23C[C@H]1C(C)(C)C2C1C(C)COCC=1CC3(C)C

Other Databases

CHEBI ID
48331
PubChem CID
24755568

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 293.97
Topological Polar Surface Area 11.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.39
Molar Refractivity 83.43

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Created at
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Updated at
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