basic_info |
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| Product_Name： | 三尖杉宁碱 |
| CAS： | 71610-00-9 |
| 中文同义词： | 三尖杉宁碱 |
| EnglishSynonyms： | BENZENEPROPANOIC ACID-HYDROXY-[(2-METHYL-1-OXO-2-BUTENYL)AMINO]-,6,12B-BIS(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,11-DIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA[3,4]BENZ[1,2-B]OXET-9-YL ESTER,[2AR-[2A,4,4A,6,9[R*,S*(E)],11,12,12A,12B]]- ; TAXOL B ; CEPHALOMANNINE ; (2ALPHA,5BETA,7BETA,10BETA,13ALPHA)-4,10-BIS(ACETYLOXY)-1,7-DIHYDROXY-13-[[(2R,3S)-2-HYDROXY-3-[[(2E)-2-METHYLBUT-2-ENOYL]AMINO]-3-P ; BENZENEPROPANOIC ACID,ALPHA-HYDROXY-BETA-[(2-METHYL-1-OXO-2-BUTENYL)AMINO]-,6,12B-BIS(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,11-DIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA[3,4]BENZ[1,2-B]OXET-9-YL ESTER,[2AR-[2A,4,4A,6,9[R*,S*(E)],11,12,12A,12B]]- |
| pro_mdlNumber： | MFCD01075131 |
| pro_acceptors： | 15 |
| pro_donors： | 4 |
| pro_smile： | C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)c6ccccc6)O)O |
| InChi： | InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1 |
| InChiKey： | InChIKey=DBXFAPJCZABTDR-WBYYIXQISA-N |
property |
|
secure_info |
|
| secure_symbol： |
GHS05
GHS07
|
| secure_signal_word： | Danger |
| secure_risk_stmt： | H315-H318-H335 |
| secure_cautionary_stmt： | P261-P280-P305 + P351 + P338 |
| secure_damage_code： | Xi |
| secure_risk_disclosure_stmt： | R:37/38-41 |
| secure_security_stmt： | S:26-39 |
| secure_wgk_germany： | 3 |
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