Structure Database (LMSD)

Common Name
Onocerin
Systematic Name
8(26),14(27)-onoceradiene-3β,21α-diol
Synonyms
LM ID
LMPR0106230004
Formula
C31H52O2
Exact Mass
Calculate m/z
456.39673
Status
Curated
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]
Serratane and onocerane triterpenoids [PR010623]

String Representations

InChiKey (Click to copy)
LZCBSDCEOLCIOF-MLMKHFPESA-N
InChi (Click to copy)
InChI=1S/C31H52O2/c1-20-10-12-23-27(3,4)25(32)15-17-29(23,7)22(20)14-18-30(8)21(2)11-13-24-28(5,6)26(33)16-19-31(24,30)9/h22-26,32-33H,1-2,10-19H2,3-9H3/t22-,23-,24-,25-,26?,29+,30-,31-/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@H](CC[C@]3(C)[C@@]4(C)CCC(O)C(C)(C)[C@]4([H])CCC3=C)C(=C)CC[C@@]2([H])C(C)(C)[C@H]1O

Other Databases

PubChem CID
42608308

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 507.72
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.27
Molar Refractivity 139.84

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Created at
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Updated at
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