Structure database (LMSD)

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LM IDLMPR0103710001
Common NameClovane-2β,9α-diol
Systematic Name-
Synonyms-
Exact Mass
238.1933 (neutral)    Calculate m/z:
FormulaC15H26O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Clovane sesquiterpenoids [PR010371]
PubChem CID15599878
InChIKeyBWXJQHJHGMZLBT-OEMOEHNSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m0/s1
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SMILES
[C@@]123CC[C@@H](O)[C@](C)(CC[C@@]1([H])C(C)(C)C[C@@H]2O)C3
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StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2007, 24, 1350-1381.
Calculated physicochemical properties (?):
 Heavy Atoms17Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
248.56Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.30Molar
Refractivity
68.55