Structure database (LMSD)

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LM IDLMFA13030005
Common Name3-O-(α-L-rhamnopyranosyl-(1-2)-α-L-rhamnopyranosyl)-3-hydroxydecanoyl-3-
hydroxydecanoic acid
Systematic Name3-O-(α-L-rhamnopyranosyl-(1-2)-α-L-rhamnopyranosyl)-3-hydroxydecanoyl-3-
hydroxydecanoic acid
Synonymsα-L-rhamnopyranosyl- α-L-rhamnopyranosyl-β-hydroxydecanoyl-β-hydroxydecanoic
acid
Exact Mass
650.3877 (neutral)    Calculate m/z:
FormulaC32H58O13
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassRhamnolipids [FA1303]
PubChem CID56936289
InChIKeyFCBUKWWQSZQDDI-DXYFZQEYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H58O13/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8
-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31/h19-22,2
5-32,36-40H,5-18H2,1-4H3,(H,33,34)/t19?,20?,21?,22?,25-,26-,27?,28?,29-,30-,31?,
32?/m0/s1
SMILES[C@H]1(OC2OC(C)[C@H](O)C(O)[C@@H]2O)C(O)[C@@H](O)C(C)OC1OC(CCCCCCC)CC(=O)OC(CCCC
CCC)CC(=O)O
MS Spectra-     
StatusActive
ReferencesAstonishing diversity of natural surfactants:
1. Glycosides of fatty acids and alcohols
Valery M. Dembitsky, LIPIDS
Volume 39, Number 10, 933-953 (2004)
Calculated physicochemical properties (?):
 Heavy Atoms45Rings2Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
646.43Topological Polar
Surface Area
205.81Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
13
 logP5.99Molar
Refractivity
168.10