(2Ar,4S,4As,6R,9S,11S,12S,12Ar,12Bs)-12-(Benzoyloxy)-4,9,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxete-6,12B-Diyl Diacetate (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(苯甲酰氧基)-4,9,11-三羟基-4a,8,13,13-四甲基-5-氧代-2a,3,4,4a,5,6,9,10,11,12,12a,12b-十二氢-1H-7,11-甲桥环癸烷并[3,4]苯并[1,2-b]氧杂环丁烯-6,12b-二基二乙酸酯
CAS 27548-93-2 MFCD00153921
化学结构图
SMILES: CC1(C)C2[C@@H](OC(C)=O)C(=O)[C@@]3(C)[C@H]([C@H](OC(=O)C4C=CC=CC=4)[C@]1(O)C[C@H](O)C=2C)[C@@]1(CO[C@@H]1C[C@@H]3O)OC(C)=O |&1:4,11,13,14,24,27,31,34,36|
化学属性
| Mol. Formula | C31H38O11 |
|---|---|
| Mol. Weight | 587 |
| Melting Point | 229 -234 |
别名和识别编码
| Chemical Name | (2Ar,4S,4As,6R,9S,11S,12S,12Ar,12Bs)-12-(Benzoyloxy)-4,9,11-Trihydroxy-4A,8,13,13-Tetramethyl-5-Oxo-2A,3,4,4A,5,6,9,10,11,12,12A,12B-Dodecahydro-1H-7,11-Methanocyclodeca[3,4]Benzo[1,2-B]Oxete-6,12B-Diyl Diacetate |
|---|---|
| CAS Number | 27548-93-2 |
| Synonym | 巴卡丁 III (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b |
| MDL Number | MFCD00153921 |
| PubChem Substance ID | 57653960 |
| Chemical Name Translation | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-(苯甲酰氧基)-4,9,11-三羟基-4a,8,13,13-四甲基-5-氧代-2a,3,4,4a,5,6,9,10,11,12,12a,12b-十二氢-1H-7,11-甲桥环癸烷并[3,4]苯并[1,2-b]氧杂环丁烯-6,12b-二基二乙酸酯 |
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分类
- Chiral Reagents
- Heterocycles
- Pharmaceuticals
- {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules
- Aromatics
- Intermediates & Fine Chemicals,
产品应用
- A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species
相关文献及参考
- Katkovcinova, Z., et al.: J. Biosci., 63, 721 (2008),
- Tian, J., et al.: J. Pharm. Sci., 97, 3100 (2008),
- Miao, Z., et al.: App. Biochem. Microbiol., 45, 81 (2009),
安全信息
GHS Symbol
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P308+P313
- H350 May cause cancer 可能致癌
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- S22 Do not breathe dust 不要吸入粉尘；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R45 May cause cancer 可能致癌
- R46 May cause inheritable genetic damage 可能引起遗传基因损害
