Structure database (LMSD)

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LM IDLMPR0104050010
Common Namedehydroabietadienol
Systematic Nameabieta-8,11,13-trien-18-ol
SynonymsDehydroabeityl alcohol; Dehydroabietinol; Dehydroabietol;[(1R,4aS,10aR)-7-
isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanol
Exact Mass
286.2297 (neutral)    Calculate m/z:
FormulaC20H30O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Abietane diterpenoids [PR010405]
PubChem CID15586718
CHEBI ID52486
InChIKeyWSKGRAGZAQRSED-SLFFLAALSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4
/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1
SMILESC1[C@@]2(C)[C@@]([H])(CCC3=C2C=CC(C(C)C)=C3)[C@@](CO)(C)CC1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings1Rotatable Bonds2
 van der Waals
Molecular Volume
307.45Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.10Molar
Refractivity
89.23