Structure Database (LMSD)

Common Name
C30:4 Monocyclic highly branched isoprenoid
Systematic Name
1-methyl-4-(prop-1-en-2-yl)-3-(3,7,11,15-tetramethyl-hexadeca-1,10E-dien-7-yl)-cyclohex-1-ene
Synonyms
LM ID
LMPR0106020002
Formula
C30H52
Exact Mass
Calculate m/z
412.4069
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]
Cyclohexane triterpenoids [PR010602]

String Representations

InChiKey (Click to copy)
PLCJWBGFRGRJFS-YZSQISJMSA-N
InChi (Click to copy)
InChI=1S/C30H52/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h10,17,22-23,25,28-29H,1,4,11-16,18-21H2,2-3,5-9H3/b26-17+
SMILES (Click to copy)
C(C)(C)CCC/C(/C)=C/CCC(CCCC(C)C=C)(C1C(C(C)=C)CCC(C)=C1)C

Other Databases

PubChem CID
21577367

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 504.64
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.09
Molar Refractivity 137.78

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Created at
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Updated at
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