Structure database (LMSD)

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LM IDLMPR0106220002
Common Name(+)-γcerane
Systematic Name-
Synonyms-
Exact Mass
412.4069 (neutral)    Calculate m/z:
FormulaC30H52
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4γcerane triterpenoids [PR010622]
PubChem CID9548720
CHEBI ID36473
InChIKeyQDUDLLAGYKHBNK-QPYQYMOUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H52/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-
16-26(3,4)22(28)14-20-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24+,27-,28-,2
9+,30+/m0/s1
SMILESC1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(
C)CC[C@@]2([H])C(C)(C)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
465.76Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP9.28Molar
Refractivity
129.35