Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104100001
Common Name(+)-13(17),15-Cleistanthadiene
Systematic Name-
Synonyms-
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Cleistanthane and isocleistanthane diterpenoids [PR010410]
PubChem CID42608214
InChIKeyGOFPPPBRKRVCKN-OAQMNZSCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,
15-18H,1-2,7-13H2,3-5H3/t15-,16-,17?,18-,20+/m0/s1
SMILESC1CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@]3([H])CC[C@@]2([H])C1(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
312.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.00Molar
Refractivity
87.50