Structure Database (LMSD)

Common Name
(+)-Euphol
Systematic Name
(20R)-(+)-triucalla-8,24-diene-3β-ol
Synonyms
LM ID
LMPR0106090002
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]
Tirucallane/euphane triterpenoids [PR010609]

String Representations

InChiKey (Click to copy)
CAHGCLMLTWQZNJ-WZLOIPHISA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)C3CC[C@@]4(C)[C@H]([C@]([H])(C)CC/C=C(\C)/C)CC[C@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1O

Other Databases

KEGG ID
C08624
HMDB ID
HMDB0031438
CHEBI ID
4940
PubChem CID
441678

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 481.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.77
Molar Refractivity 133.39

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Created at
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Updated at
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