Lactonic sophorolipid

C34H56O14CAS 148409-20-5688.81 g/mol

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AcetalAlcoholAlkeneEsterEtherLactone

Properties

Molecular formula
C34H56O14
Molar mass
688.81 g/mol
Exact mass
688.3670 Da
logP
2.35Crippen estimate
Polar surface area
196.7 Ų
H-bond donors / acceptors
4 / 14
Rotatable bonds
4
Stereocentres
S, S, R, S, R, R, R, S, S, R, Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
148409-20-5
SMILES
C[C@H]1CCCCCC/C=C\CCCCCCCC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O1)COC(=O)C)O)O)COC(=O)C
InChIKey
OGTXYHUVJIPSDT-GNUCGHNBSA-N
InChI
InChI=1S/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4-/t21-,24+,25+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1

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Work with Lactonic sophorolipid

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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