Structure database (LMSD)

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LM IDLMPR0106230002
Common Name(-)-14-Serratene
Systematic Name-
Synonyms-
Exact Mass
410.3913 (neutral)    Calculate m/z:
FormulaC30H50
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC30 isoprenoids (triterpenes) [PR0106]
Class Level 4Serratane and onocerane triterpenoids [PR010623]
PubChem CID42608306
InChIKeyNIALLGCBSYYMNQ-RYUGGBRLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19
-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3/t22-,23-,24?,25?,2
8-,29+,30-/m0/s1
SMILESC1C[C@]2(C)C3CC[C@]4([H])[C@@]5(C)CCCC(C)(C)[C@]5([H])CC=C4C[C@]3(C)CCC2C(C)(C)C
1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
463.12Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP9.20Molar
Refractivity
129.33