Structure database (LMSD)

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LM IDLMPR0104030004
Common Nameforskolin (W)
Systematic Name(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-
pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
Synonyms7β-acetoxy-8,13-epoxy-1α,6β,9α-trihydroxylabd-14-en-11-one; FORSKOLIN;
colforsina; colforsine; colforsinum
Exact Mass
410.2305 (neutral)    Calculate m/z:
FormulaC22H34O7
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Labdane and halimane diterpenoids [PR010403]
PubChem CID47936
CHEBI ID42471
CAYMAN ID11018
InChIKeyOHCQJHSOBUTRHG-KGGHGJDLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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SMILES
C1C([C@]2([C@]([C@@]3(O)C(=O)C[C@@](C)(O[C@]3(C)[C@H]([C@H]2O)OC(C)=O)C=C)(C)[C@@H](O)C1)[H])(C)C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings3Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
405.69Topological Polar
Surface Area
115.36Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP3.24Molar
Refractivity
107.92