Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104530001
Common Name(+)-Tormesol
Systematic Name(+)-3,17-sphenolobadiene-13-ol
Synonyms-
Exact Mass
290.2610 (neutral)    Calculate m/z:
FormulaC20H34O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Sphenolobane diterpenoids [PR010453]
PubChem CID42608268
InChIKeyZNHQIGBFRDTHDN-YRPNKDGESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O/c1-15(2)7-6-12-20(5,21)18-11-14-19(4)13-10-16(3)8-9-17(18)19/h1
0,17-18,21H,1,6-9,11-14H2,2-5H3/t17-,18+,19-,20-/m0/s1
SMILES[C@@]12([H])CCC(C)=CC[C@@]1(C)CC[C@H]2[C@@](C)(O)CCCC(=C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings2Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
333.35Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.93Molar
Refractivity
91.73