Chem
J-GLOBAL ID:200907049977625342   Nikkaji number:J366.195D

(6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-28-hydroxy-25-isopropylmilbemycin B

(6R,25R)-5-O-デメチル-28-デオキシ-6,28-エポキシ-28-ヒドロキシ-25-イソプロピルミルベマイシンB
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: C33H48O8
Molecular formula furigana: C33-H48-O8
Molecular weight: 572.739
InChI: InChI=1S/C33H48O8/c1-18(2)28-21(5)12-13-32(41-28)17-24-16-23(40-32)11-10-20(4)14-19(3)8-7-9-25-30(35)39-29-27(34)22(6)15-26(31(36)38-24)33(25,29)37/h7-10,15,18-19,21,23-24,26-30,34-35,37H,11-14,16-17H2,1-6H3/b8-7-,20-10?,25-9-/t19-,21-,23+,24-,26-,27+,28+,29+,30?,32+,33+/m0/s1
InChI key: BSYNKYQJKMWJIF-DPKAXSLASA-N
SMILES: CC(C)[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\C(O)O[C@@H]4[C@H](O)C(=C[C@@H](C(=O)O1)[C@]34O)C)O2
Systematic name  (3):
  • (6R,25R)-5-O-デメチル-28-デオキシ-6,28-エポキシ-28-ヒドロキシ-25-イソプロピルミルベマイシンB
  • (1'R,2R,4'S,5S,6R,8'R,13'R,14'Z,16'E,20'R,21'R,24'S)-18',21',24'-トリヒドロキシ-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,4'S,5S,6R,8'R,13'R,14'Z,16'E,20'R,21'R,24'S)-18',21',24'-trihydroxy-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 (1):
  • (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-28-hydroxy-25-isopropylmilbemycin B
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