Chem
J-GLOBAL ID：200907038154458813   Nikkaji number：J34.158D

Milbemectin A4

ミルベマイシンA4
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： C32H46O7
Molecular formula furigana： C32-H46-O7
Molecular weight： 542.713
InChI： InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10?,23-9+/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1
InChI key： VOZIAWLUULBIPN-CXHQEEGYSA-N
SMILES： CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)/C=C/C=C/3\CO[C@@H]4[C@H](O)C(=C[C@@H](C(=O)O1)[C@]34O)C)O2
Systematic name  (5)：
  • (6R,25R)-5-O-デメチル-28-デオキシ-6,28-エポキシ-25-エチルミルベマイシンB
  • (25R)-25-エチル-5β-ヒドロキシ-5-デメトキシ-28-O,6β-シクロミルベマイシンB
  • (25R)-5-O-デメチル-25-エチル-6β,28-O-シクロミルベマイシンB
  • (1'R,2R,4'S,5S,6R,8'R,13'R,14'E,16'E,20'R,21'R,24'S)-6-エチル-21',24'-ジヒドロキシ-5,11',13',22'-テトラメチル-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,4'S,5S,6R,8'R,13'R,14'E,16'E,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-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 (18)：
  • ミルベマイシンα3
  • 抗生物質B-41A4
  • Milbemycin α3
  • Antibiotic B-41A4
  • (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-ethylmilbemycin B
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CAS registry number： 51596-11-3
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