Spinosyn A

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Systematic / IUPAC Name: (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-9-ethyl-14-methyl-7,15-dioxo-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d]oxacyclododecin-2-yl 6-deoxy-2,3,4-tri-O-methyl-α-L-mannopyranoside

ID: Reference6196

Other Names: (-)-Spinosyn A;
A 83543A;
Lepicidin A

Formula: C41H65NO10

Class: Endogenous Metabolites

Spectral Data

Spinosyn A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 202
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/11/2017 7:45:06 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
InChI Key SRJQTHAZUNRMPR-UYQKXTDMSA-N
Canonical SMILES CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C
CAS 131929607
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Other Names (-)-Spinosyn A;
A 83543A;
Lepicidin A

In Other Databases

ChEMBL CHEMBL501411
Wikipedia Spinosad
PubChem 443059
ChemSpider 391358
KEGG C11054
ChEBI CHEBI:9230