Chemical Compound

(1aR,2'S,3aR,6aS,7aR,8S,11R,12E,14Z,18R,18aS,20R,21aS,21bS)-8-Hydroxy-11-[(1R)-1-hydroxyethyl]-1a,7a,18a-trimethyl-2,3,6a,7a,8,9,18,18a,21a,21b-decahydro-1aH,4H,6H,20H-spiro[18,20-methanooxireno[h]oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-19,2'-oxirane]-6,16(11H)-dione

CAS Registry Number 61251-97-6
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(1aR,2'S,3aR,6aS,7aR,8S,11R,12E,14Z,18R,18aS,20R,21aS,21bS)-8-Hydroxy-11-[(1R)-1-hydroxyethyl]-1a,7a,18a-trimethyl-2,3,6a,7a,8,9,18,18a,21a,21b-decahydro-1aH,4H,6H,20H-spiro[18,20-methanooxireno[h]oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-19,2'-oxirane]-6,16(11H)-dione 结构式
Primary record

(1aR,2'S,3aR,6aS,7aR,8S,11R,12E,14Z,18R,18aS,20R,21aS,21bS)-8-Hydroxy-11-[(1R)-1-hydroxyethyl]-1a,7a,18a-trimethyl-2,3,6a,7a,8,9,18,18a,21a,21b-decahydro-1aH,4H,6H,20H-spiro[18,20-methanooxireno[h]oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-19,2'-oxirane]-6,16(11H)-dione

库存
7,427 克
纯度
98.2 %
CAS
61251-97-6

化合物标识与属性

CAS
61251-97-6
PubChem CID
117587576
SMILES
C[C@H]([C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CC[C@@]6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O
Canonical SMILES
C[C@@H](O)[C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5O[C@]5(C)CC[C@]4(COC(=O)[C@H]4O[C@]4(C)[C@@H](O)CO1)[C@]2(C)[C@]31CO1

名称与同义词

  • Baccharin
  • Baccharinoid B5
  • BACCHARIN B 5
  • RefChem:916641
  • C616DV5Y11
  • UNII-C616DV5Y11
  • DTXSID40859231
  • DTXCID801511355
  • NSC-269757
  • NSC 269757
  • BRN 5787382
  • Q27275232
  • 61251-97-6
  • (2E)-3-(3-(3-Methyl-2-buten-1-yl)-4-((3-phenylpropanoyl)oxy)phenyl)acrylic acid
  • (E)-3-(3-(3-methylbut-2-enyl)-4-(3-phenylpropanoyloxy)phenyl)prop-2-enoic acid
  • Benzenepropanoic acid, 4-((E)-2-carboxyethenyl)-2-(3-methyl-2-buten-1-yl)phenyl ester
  • (1aR,2'S,3aR,6aS,7aR,8S,11R,12E,14Z,18R,18aS,20R,21aS,21bS)-8-Hydroxy-11-[(1R)-1-hydroxyethyl]-1a,7a,18a-trimethyl-2,3,6a,7a,8,9,18,18a,21a,21b-decahydro-1aH,4H,6H,20H-spiro[18,20-methanooxireno[h]oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-19,2'-oxirane]-6,16(11H)-dione
  • (2'S,3'R,4'S,7'R,9R,10S)-7'-DEOXO-2'-DEOXY-2',3':9,10-DIEPOXY-9,10-DIHYDRO-4'-HYDROXY-7'-((1R)-1-HYDROXYETHYL)VERRUCARIN A
  • VERRUCARIN A, 7'-DEOXO-2'-DEOXY-2',3':9,10-DIEPOXY-9,10-DIHYDRO-4'-HYDROXY-7'-((1R)-1-HYDROXYETHYL)-, (2'S,3'R,4'S,7'R,9R,10S)-
  • Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3'R,4'S,7'R(R),9R,10S)-