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CHEBI:63943 - 22,23-dihydroavermectin B1b

ChEBI IDCHEBI:63943
ChEBI Name22,23-dihydroavermectin B1b
Stars
ASCII Name22,23-dihydroavermectin B1b
DefinitionA macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin.
Last Modified23 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC47H72O14
Net Charge0
Average Mass861.079
Monoisotopic Mass860.49221
SMILES[H][C@@]12C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(CC[C@H](C)[C@@]([H])(C(C)C)O1)O2)[C@]34O
InChIInChI=1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1
InChIKeyVARHUCVRRNANBD-PVVXTEPVSA-N
ChEBI Ontology
Outgoing Relation(s)
22,23-dihydroavermectin B1b (CHEBI:63943) has functional parent avermectin B1b (CHEBI:29537)
22,23-dihydroavermectin B1b (CHEBI:63943) is a macrocyclic lactone (CHEBI:63944)
22,23-dihydroavermectin B1b (CHEBI:63943) is a spiroketal (CHEBI:72600)
Incoming Relation(s)
ivermectin (CHEBI:6078) has part 22,23-dihydroavermectin B1b (CHEBI:63943)
IUPAC Name 
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside
Synonyms  Source
dihydroavermectin B1bChEBI
ivermectin B1bChEBI
ivermectin component b1bChEBI
avermectin H2B1bChEBI
H2B1bChEBI
Registry NumbersSources
Reaxys:8183665Reaxys
CAS:70209-81-3ChemIDplus
Citations