Structure database (LMSD)

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LM IDLMPR0104080008
Common Nameisopimara-7,15-dienol
Systematic Name(13S)-pimara-7,15-dien-18-ol
Synonyms18-Hydroxy-isopimaradien; 7,15-Isopimaradien-18-ol; Isopimara-7,15-dien-19-
ol;[(1R,4aR,4bS,7S,10aR)-1,4a,7-trimethyl-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,
10a-dodecahydrophenanthren-1-yl]methanol; isopimarinol
Exact Mass
288.2453 (neutral)    Calculate m/z:
FormulaC20H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Pimarane diterpenoids [PR010408]
PubChem CID15586712
KEGG IDC18221
CHEBI ID52484
InChIKeyDUEINKIQNGZKPL-VYJAJWGXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,16-17,21H,1,6,8-14H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1
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SMILES
C1[C@@]2(C)[C@@]([H])(CC=C3[C@]2([H])CC[C@](C)(C=C)C3)[C@@](CO)(C)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
320.99Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.40Molar
Refractivity
89.48