Structure database (LMSD)

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LM IDLMPR0104100004
Common Name(-)-Cleistanthol
Systematic Name(-)-8,11,13,15-cleistanthatetraene-2,3,12-triol
Synonyms-
Exact Mass
316.2038 (neutral)    Calculate m/z:
FormulaC20H28O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Cleistanthane and isocleistanthane diterpenoids [PR010410]
PubChem CID42608217
InChIKeyRLJCBUKFIDXOQW-CGBFIWBNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O3/c1-6-12-11(2)15(21)9-14-13(12)7-8-17-19(3,4)18(23)16(22)10-20(
14,17)5/h6,9,16-18,21-23H,1,7-8,10H2,2-5H3/t16-,17-,18-,20+/m0/s1
SMILES[C@H]1(O)[C@@H](O)C[C@]2(C)C3C=C(O)C(C)=C(C=C)C=3CC[C@@]2([H])C1(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings1Rotatable Bonds1
 van der Waals
Molecular Volume
322.39Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP3.89Molar
Refractivity
93.53