Structure database (LMSD)

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LM IDLMPR0103600003
Common Name(+)-2-Sterpurene-6,12,15-triol
Systematic Name-
Synonyms-
Exact Mass
252.1725 (neutral)    Calculate m/z:
FormulaC15H24O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Sterpurane sesquiterpenoids [PR010360]
PubChem CID42608174
InChIKeyAWMMKZCBBAJJAU-HJPIBITLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-
18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1
SMILES[C@@]12(C)CC[C@]1(O)C(CO)=C1C[C@](CO)(C)C[C@@]1([H])C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
254.71Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP2.47Molar
Refractivity
70.43