Structure database (LMSD)

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LM IDLMPR0104160001
Common NameAphidicol-16-ene
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 4Aphidicolane diterpenoids [PR010416]
PubChem CID15907363
InChIKeyGNNRCBBKCVNPSC-ORZNMBHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3/t15-,16+,17+,19+,20+/m1/s1
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SMILES
C1CC[C@]2(C)[C@]34C[C@H](C(=C)CC3)C[C@]4([H])CC[C@@]2([H])C1(C)C
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StatusActive
ReferencesNat. Prod. Rep., 2003, 20, 70-78.
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