Chem
J-GLOBAL ID:200907053365943024   Nikkaji number:J91.851B

Avermectin A2b

アベルメクチンA2b
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C48H74O15
Molecular formula furigana: C48-H74-O15
Molecular weight: 891.105
InChI: InChI=1S/C48H74O15/c1-24(2)41-28(6)35(49)22-47(63-41)21-33-18-32(62-47)16-15-26(4)42(60-39-20-37(54-10)44(30(8)58-39)61-38-19-36(53-9)40(50)29(7)57-38)25(3)13-12-14-31-23-56-45-43(55-11)27(5)17-34(46(51)59-33)48(31,45)52/h12-15,17,24-25,28-30,32-45,49-50,52H,16,18-23H2,1-11H3/b13-12?,26-15?,31-14-/t25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47-,48+/m0/s1
InChI key: QUTFLJHOCPQPEW-OSRMRLTLSA-N
SMILES: CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)C=C/C=C\3/CO[C@@H]4[C@H](OC)C(=C[C@@H](C(=O)O[C@H]5C[C@@H](CC=C2C)O[C@@]2(C[C@H](O)[C@H](C)[C@H](O2)C(C)C)C5)[C@]34O)C)O[C@@H](C)[C@@H]1O
Systematic name  (3):
  • (23S)-25-デ(1-メチルプロピル)-22,23-ジヒドロ-23-ヒドロキシ-25-イソプロピルアベルメクチンA1a
  • (1'R,2R,4S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-4,24'-ジヒドロキシ-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-21'-メトキシ-5,11',13',22'-テトラメチル-6-(プロパン-2-イル)-3',7',19'-トリオキサスピロ[オキサン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オン
  • (1'R,2R,4S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-4,24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-21'-methoxy-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one
Other name (14):
  • アベルメクチンA2b
  • Antibiotic C-076A2b
  • C-076A2b
  • Avermectin A2b
  • 抗生物質C-076A2b
Show all
CAS registry number: 65195-54-2
KEGG COMPOUND: C11960
Thsaurus map:

Return to Previous Page