Structure Database (LMSD)

Common Name
C30 Monocyclic highly branched isoprenoid
Systematic Name
1-isopropyl-4-methyl-2-(3,7,11,15-tetramethyl-hexadecan-7-yl)-cyclohexane
Synonyms
LM ID
LMPR0106020003
Formula
C30H60
Exact Mass
Calculate m/z
420.4695
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)
CYGHPBQDCJXIPT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60/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/h23-29H,10-22H2,1-9H3
SMILES (Click to copy)
C(C)(C)CCCC(C)CCCC(CCCC(C)CC)(C1C(C(C)C)CCC(C)C1)C

Other Databases

PubChem CID
42608283

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 515.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.55
Molar Refractivity 137.95

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Updated at
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