Structure Database (LMSD)

Common Name
(-)-Ceriferol 1
Systematic Name
Synonyms
LM ID
LMPR0105030001
Status
Active
Exact Mass
Calculate m/z
356.307915
Formula
C25H40O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Cericerane sesterterpenoids [PR010503]

String Representations

InChiKey (Click to copy)
AJSOCTGMVJYROT-NDACNNDESA-N
InChi (Click to copy)
InChI=1S/C25H40O/c1-20(2)9-6-13-23(5)25-17-15-22(4)11-7-10-21(3)12-8-14-24(19-26)16-18-25/h9,11-12,16,25-26H,5-8,10,13-15,17-19H2,1-4H3/b21-12-,22-11+,24-16-/t25-/m1/s1
SMILES (Click to copy)
C1=C(C)CCC=C(C)CC[C@@H](C(=C)CC/C=C(\C)/C)CC=C(CO)CC1

References

Reference
Breitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.

Other Databases

CHEBI ID
187996
PubChem CID
42608276

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 424.29
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.75
Molar Refractivity 116.79

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Updated at
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