Structure database (LMSD)

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LM IDLMPR0104140001
Common Name(+)-15-Beyerene
Systematic Name-
Synonyms-
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Beyerane diterpenoids [PR010414]
PubChem CID107412
InChIKeyGXMKKDDGINQVBE-LHDHZVESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3/t15-,16+,18-,19-,20+/m1/s1
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SMILES
C1CC[C@@]2(C)[C@]3([H])CC[C@@]4(C=C[C@]3(C4)CC[C@]2([H])C1(C)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.48Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.98Molar
Refractivity
85.48