Structure Database (LMSD)

Common Name
C30:6 Highly branched isoprenoid A
Systematic Name
2,6,10,14,18-pentamethyl-13E-(3-methyl-pent-4-enylidene)-nonadeca-2,6E,10Z,17-tetraene
Synonyms
LM ID
LMPR0106010005
Status
Active
Exact Mass
Calculate m/z
410.39125
Formula
C30H50
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Acyclic triterpenoids [PR010601]

String Representations

InChiKey (Click to copy)
JCWJDRJIYCBBNM-FTTJEOKKSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,28-21-,30-22+
SMILES (Click to copy)
C/C(/C)=C/CCC(/C(=C/CC(C)C=C)/C/C=C(\CC/C=C(\C)/CC/C=C(\C)/C)/C)C

References

Other Databases

PubChem CID
21776229

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 511.72
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.32
Molar Refractivity 139.92

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Created at
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Updated at
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