Structure database (LMSD)

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LM IDLMPR0105030001
Common Name(-)-Ceriferol 1
Systematic Name-
Synonyms-
Exact Mass
356.3079 (neutral)    Calculate m/z:
FormulaC25H40O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cericerane sesterterpenoids [PR010503]
PubChem CID42608276
InChIKeyAJSOCTGMVJYROT-NDACNNDESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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-/t2
5-/m1/s1
SMILESC1=C(C)CCC=C(C)CC[C@@H](C(=C)CC/C=C(\C)/C)CC=C(CO)CC1
MS Spectra-     
StatusActive
ReferencesBreitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
424.29Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.75Molar
Refractivity
116.79