Chemical Compound
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
CAS Registry Number
1355-31-3
Primary record
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
- 库存
- 3,614 克
- 纯度
- 99.4 %
- CAS
- 1355-31-3
化合物标识与属性
- CAS
- 1355-31-3
- PubChem CID
- 11953924
- SMILES
- CC/C/1=C/N(CCC2=C([C@](CC(=O)C1)(C3=C(C=C4C(=C3)[C@]56CCN7[C@H]5[C@@](C=CC7)([C@H]([C@@]([C@@H]6N4C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC8=CC=CC=C28)C=O
- Canonical SMILES
- CC/C1=C/N(C=O)CCc2c([nH]c3ccccc23)[C@@](C(=O)OC)(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)CC(=O)C1
名称与同义词
- Catharine
- Alkaloid XC-99
- Catharine[alkaloid]
- RefChem:320233
- CHEBI:3470
- orb3023174
- CHEMBL5420771
- DTXSID801098030
- XC 99
- C46H54N4O10
- C46-H54-N4-O10
- BRN 0605169
- CID11953924
- C09129
- J446.472I
- 1355-31-3
- Q27106095
- 2',19'-Secovincaleukoblastine, 4',5'-didehydro-4'-deoxy-2',19'-dioxo
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S,6Z)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
- 4 ,5 -Didehydro-4 -deoxy-2 ,19 -dioxo-2 ,19 -secovincaleukoblastine
- (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid
- Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((9S)-3-formyl-5-ethyl-1,2,3,6,7,8,9,10-octahydro-9-(methoxycarbonyl)azacycloundecino(5,4-b)indol-9-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-
- Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(9S)-3-formyl-5-ethyl-1,2,3,6,7,8,9,10-octahydro-9-(methoxycarbonyl)azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-
- Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[(9S)-3-formyl-5-ethyl-1,2,3,6,7,8,9,10-octahydro-9-(methoxycarbonyl)azacycloundecino[5,4-b]indol-9-yl]-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2I(2),3I(2),4I(2),5I+/-,12R,19I+/-)-
- methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(9S)-5-ethyl-3-formyl-9-(methoxycarbonyl)-7-oxo-1H,2H,3H,6H,7H,8H,9H,10H-azacycloundeca[5,4-b]indol-9-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate