U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H63NO10
Molecular Weight 717.9289
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Spinosyn H

SMILES

CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C3=C[C@H]4[C@@H]5C[C@@H](C[C@H]5C=C[C@H]4[C@@H]3CC(=O)O1)O[C@@H]6O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]6O

InChI

InChIKey=IOCQRADVOJDJIS-SGFJDKLNSA-N
InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41(5)6)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-37(44)39(46-8)38(45-7)23(4)48-40/h13-14,19,21-30,32-33,35,37-40,44H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37-,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Spinosyn H
Common Name English
A-83543H
Preferred Name English
(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-Deoxy-3,4-di-O-methyl-?-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-1H-as-indaceno[3,2-
Systematic Name English
A83543H
Common Name English
1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3,4-di-O-methyl-?-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-14-methyl-, (2R,3a
Systematic Name English
Code System Code Type Description
FDA UNII
958UE6JXM2
Created by admin on Wed Apr 02 20:39:38 GMT 2025 , Edited by admin on Wed Apr 02 20:39:38 GMT 2025
PRIMARY
CAS
131929-66-3
Created by admin on Wed Apr 02 20:39:38 GMT 2025 , Edited by admin on Wed Apr 02 20:39:38 GMT 2025
PRIMARY
PUBCHEM
23724546
Created by admin on Wed Apr 02 20:39:38 GMT 2025 , Edited by admin on Wed Apr 02 20:39:38 GMT 2025
PRIMARY