Structure Database (LMSD)

Common Name
(+)-Taraxerol
Systematic Name
(+)-14-taraxeren-3β-ol
Synonyms
LM ID
LMPR0106160002
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]

String Representations

InChiKey (Click to copy)
GGGUGZHBAOMSFJ-KPYRJEJNSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
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

Other Databases

PubChem CID
42608290

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.46
Molar Refractivity 131.23

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Created at
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Updated at
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