Structure database (LMSD)

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LM IDLMPR0104140004
Common Name(+)-7β-Hydroxy-15-beyeren-19-oic acid
Systematic Name-
Synonyms-
Exact Mass
318.2195 (neutral)    Calculate m/z:
FormulaC20H30O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Beyerane diterpenoids [PR010414]
PubChem CID42608220
InChIKeyJBZBBYSLHBTTHB-ZWOHWCSTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O3/c1-17-8-5-13-18(2)6-4-7-19(3,16(22)23)14(18)11-15(21)20(13,12-17)10-9-17/h9-10,13-15,21H,4-8,11-12H2,1-3H3,(H,22,23)/t13-,14-,15-,17+,18-,19+,20+/m0/s1
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SMILES
C1CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)[C@@H](O)C[C@]2([H])[C@@]1(C(=O)O)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
326.21Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.30Molar
Refractivity
89.35