Chemical Compound

(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-bis(2-methylpropyl)-21,21',24,24'-tetra(propan-2-yl)-2,2',3,3',4,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-[16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone

CAS Registry Number 126775-74-4
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(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-bis(2-methylpropyl)-21,21',24,24'-tetra(propan-2-yl)-2,2',3,3',4,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-[16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone 结构式
Primary record

(3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-bis(2-methylpropyl)-21,21',24,24'-tetra(propan-2-yl)-2,2',3,3',4,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-[16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone

库存
694 克
纯度
98.1 %
CAS
126775-74-4

化合物标识与属性

CAS
126775-74-4
PubChem CID
85053967
SMILES
CC(C)CC1C(=O)NC(C(=O)N2C(CC3(C2NC4=C3C=C(C=C4)C5=CC6=C(C=C5)NC7C6(CC8N7C(=O)C(NC(=O)C(NC(=O)C9CC(CNN9C(=O)C(OC(=O)C(NC8=O)C(C)C)C(C)C)O)CC(C)C)C(C)O)O)O)C(=O)NC(C(=O)OC(C(=O)N2C(CC(CN2)O)C(=O)N1)C(C)C)C(C)C)C(C)O
Canonical SMILES
CC(C)CC1NC(=O)C2CC(O)CNN2C(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C2CC3(O)c4cc(-c5ccc6c(c5)C5(O)CC7C(=O)NC(C(C)C)C(=O)OC(C(C)C)C(=O)N8NCC(O)CC8C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)N7C5N6)ccc4NC3N2C(=O)C(C(C)O)NC1=O

名称与同义词

  • Himastatin
  • Antibiotic bmy 40800
  • CHEBI:190009
  • BMY40800
  • BMY 40800
  • BMY-40800
  • (3R,3'R,4aR,4a'R,7S,7'S,10R,10'R,12aS,12a'S,17bR,17b'R,18aS,18a'S,21R,21'R,24S,24'S)-3,3',17b,17b'-tetrahydroxy-10,10'-bis[(1S)-1-hydroxyethyl]-7,7'-bis(2-methylpropyl)-21,21',24,24'-tetra(propan-2-yl)-2,2',3,3',4,4',4a,4a',6,6',7,7',9,9',10,10',13,13',17b,17b',18,18',18a,18a',20,20',21,21'-octacosahydro-12aH,12a'H-[16,16'-bipyridazino[6'',1'':15',16'][1,4,7,10,13,16]oxapentaazacyclooctadecino[7',6':1,5]pyrrolo[2,3-b]indole]-5,5',8,8',11,11',19,19',22,22',25,25'(1H,1'H,24H,24'H)-dodecone
  • 126775-74-4