Chem
J-GLOBAL ID：200907071480390525   Nikkaji number：J34.159B

Milbemycin A3

ミルベマイシンA3
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： C31H44O7
Molecular formula furigana： C31-H44-O7
Molecular weight： 528.686
InChI： InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9?,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
InChI key： ZLBGSRMUSVULIE-TWDUMCPPSA-N
SMILES： C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)/C=C/C=C/4\CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)O[C@@H]1C
Systematic name  (5)：
  • (6R,25R)-5-O-デメチル-28-デオキシ-6,28-エポキシ-25-メチルミルベマイシンB
  • (25R)-25-メチル-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-メチル-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)-21',24'-ジヒドロキシ-5,6,11',13',22'-ペンタメチル-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)-21',24'-dihydroxy-5,6,11',13',22'-pentamethyl-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 (21)：
  • ミルベマイシンα1
  • 抗生物質B-41A3
  • Milbemycin α1
  • Antibiotic B-41A3
  • (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-methylmilbemycin B
Show all
CAS registry number： 51596-10-2
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM