Structure database (LMSD)

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LM IDLMPR0106160002
Common Name(+)-Taraxerol
Systematic Name(+)-14-taraxeren-3β-ol
Synonyms-
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]
PubChem CID42608290
InChIKeyGGGUGZHBAOMSFJ-KPYRJEJNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20?,22-,23-,24+,27+,28+,29+,30-/m1/s1
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SMILES
C1C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]5([H])CC(C)(C)CC[C@]5(C)CC=C4[C@]3(C)CCC2C(C)(C)[C@H]1O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
471.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.46Molar
Refractivity
131.23