Structure Database (LMSD)

Common Name
(-)-14-Serratene
Systematic Name
Synonyms
LM ID
LMPR0106230002
Formula
C30H50
Exact Mass
Calculate m/z
410.39125
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]
Serratane and onocerane triterpenoids [PR010623]

String Representations

InChiKey (Click to copy)
NIALLGCBSYYMNQ-RYUGGBRLSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3/t22-,23-,24?,25?,28-,29+,30-/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC=C4C[C@]3(C)CCC2C(C)(C)C1

Other Databases

PubChem CID
42608306

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 463.12
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.20
Molar Refractivity 129.33

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Created at
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Updated at
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