Structure Database (LMSD)

Common Name
Botryococcane
Systematic Name
10-ethyl-2,6,10,13,17,21-hexamethyl-docosane
Synonyms
LM ID
LMPR0106030001
Formula
C30H62
Exact Mass
Calculate m/z
422.48515
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]
Botryococcene triterpenoids [PR010603]

String Representations

InChiKey (Click to copy)
BMQOPLQIXUYINH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h25-29H,10-24H2,1-9H3
SMILES (Click to copy)
CC(C)CCCC(CCCC(C)(CC)CCC(CCCC(C)CCCC(C)C)C)C

Other Databases

PubChem CID
14432021

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 527.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.08
Molar Refractivity 140.20

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Updated at
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