Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0106090002
Common Name(+)-Euphol
Systematic Name(20R)-(+)-triucalla-8,24-diene-3β-ol
Synonyms-
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Tirucallane/euphane triterpenoids [PR010609]
PubChem CID441678
HMDB IDHMDB0031438
InChIKeyCAHGCLMLTWQZNJ-WZLOIPHISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-
17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,2
5+,26+,28-,29+,30-/m1/s1
SMILESC1C[C@]2(C)C3CC[C@@]4(C)[C@H]([C@]([H])(C)CC/C=C(\C)/C)CC[C@]4(C)C=3CC[C@@]2([H]
)C(C)(C)[C@H]1O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
481.63Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.77Molar
Refractivity
133.39