Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104390003
Common NameTaxa-4(20),11(12)-dien-5α-ol
Systematic Name-
Synonyms-
Exact Mass
288.2453 (neutral)    Calculate m/z:
FormulaC20H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Taxane and Abeotaxane diterpenoids [PR010439]
PubChem CID443485
KEGG IDC11895
CHEBI ID30038
InChIKeyQHDGSWAXTYWVOP-ZNWBIBPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4
/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18-,20+/m0/s1
SMILES[C@@]12(C[C@]3([H])CCC(C)=C(CC[C@]1(C)CC[C@H](O)C2=C)C3(C)C)[H]
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
320.99Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.54Molar
Refractivity
89.55