Structure database (LMSD)

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LM IDLMPR0104080011
Common Name9β-pimara-7,15-dien-19-oic acid
Systematic Name9β-pimara-7,15-dien-19-oic acid
Synonyms-
Exact Mass
302.2246 (neutral)    Calculate m/z:
FormulaC20H30O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Pimarane diterpenoids [PR010408]
PubChem CID12311180
CHEBI ID63731
InChIKeyMXYATHGRPJZBNA-BDUQCRIQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16-,18-,19-,20+/m1/s1
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SMILES
C1CC[C@]2(C)[C@]3([H])CC[C@](C=C)(C)CC3=CC[C@@]2([H])[C@@]1(C)C(O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
327.14Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.21Molar
Refractivity
89.54