Structure Database (LMSD)

Common Name
C30:5 Monocyclic highly branched isoprenoid B
Systematic Name
2,6,10,14,18-pentamethyl-13E-(3-methyl-pent-4-enylidene)-nonadeca-2,6E,10E-triene
Synonyms
LM ID
LMPR0106010007
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]
Acyclic triterpenoids [PR010601]

String Representations

InChiKey (Click to copy)
BNYPZWFLESHHNE-VZKDKEEGSA-N
InChi (Click to copy)
InChI=1S/C30H52/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/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+
SMILES (Click to copy)
CC(C)CCCC(/C(=C/CC(C)C=C)/C/C=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)C

Other Databases

PubChem CID
21776230

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 514.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.40
Molar Refractivity 139.94

Admin

Created at
-
Updated at
-