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81604-85-5 (新卡菌素发色团,Neocarzinostatin chromophore)

结构式：

新卡菌素发色团结构式图片|81604-85-5结构式图片

新卡菌素发色团MOL文件

CAS号：

81604-85-5

中文名称：

新卡菌素发色团

英文名称：

Neocarzinostatin chromophore

分子式：

C₃₅H₃₃NO₁₂

分子量：

659.636030912399

相关分类：

溶剂及有机化学品 > 有机化合物 > Organic oxygen compounds > Organooxygen compounds > Aminoglycosides

新卡菌素发色团(81604-85-5)名称与标识符

名称

英文别名：

neocarzinostatin chromophore;Ncs-chrom;Neocarzinostatin chromophore I;Ncs-Chromophore;NEOCARZINOSTATIN-CHROMOPHORE;2SJ8J82D90;Neocarzinostatin chrom I;Chromophore;Neocarzinostatin chromophore A;1o5p;C12049;(+)-neocarzinostatin chromophore;DB04408;Q2684;

标识符

InChIKey：

QZGIWPZCWHMVQL-UIYAJPBUSA-N

Inchi：

1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1

SMILES：

O1[C@@H]2C#CC=C3C(C#C[C@]12[C@H]1COC(=O)O1)=C[C@H]([C@@H]3O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O)NC)OC(C1=C(C=CC2C(C)=CC(=CC1=2)OC)O)=O |c:4|

新卡菌素发色团(81604-85-5)物化性质

计算特性

氢键供体数量 : 4
氢键受体数量 : 13
可旋转化学键数量 : 8
重原子数量 : 48
复杂度 : 1520
拓扑分子极性表面积 : 175

新卡菌素发色团(81604-85-5)相关文献

1. The novel selenium mediated aromatization of a 1,6-diyn-3-ene system related to neocarzinostatin chromophore
Kazunobu Toshima,Kazumi Ohta,Tatsuya Ohtake,Kuniaki Tatsuta J. Chem. Soc. Chem. Commun. 1991 694
2. Synthetic strategies to epoxydiynes and a key synthon of the neocarzinostatin chromophore
Olivier Thominet,James R. Baker,Hugh Britton,Zac C. Etheridge,Marco G. Soscia,Stephen Caddick Org. Biomol. Chem. 2007 5 3703
3. Synthetic strategies to epoxydiynes and a key synthon of the neocarzinostatin chromophore
Olivier Thominet,James R. Baker,Hugh Britton,Zac C. Etheridge,Marco G. Soscia,Stephen Caddick Org. Biomol. Chem. 2007 5 3703
4. Novel synthesis of a chiral cyclic dienediyne system related to the neocarzinostatin chromophore
Kazuhiko Nakatani,Katsuko Arai,Shiro Terashima J. Chem. Soc. Chem. Commun. 1992 289
5. The enediyne and dienediyne based antitumour antibiotics. Methodology and strategies for total synthesis and construction of bioactive analogues. Part 1
Hervé Lhermitte,David S. Grierson Contemp. Org. Synth. 1996 3 41
6. Design and synthesis of 1-thia-3,8-diyn-5-ene systems with DNA-cleaving properties related to the neocarzinostatin chromophore
Kazunobu Toshima,Kazumi Ohta,Aya Ohashi,Atsuo Ohtsuka,Masaya Nakata,Kuniaki Tatsuta J. Chem. Soc. Chem. Commun. 1992 1306
7. Synthesis of the neocarzinostatin chromophore A core diynene structure using an η2-hexacarbonyidicobalt mediated Aldol reaction
Philip Magnus,Thomas Pitterna J. Chem. Soc. Chem. Commun. 1991 541
8. O-Glycosylation methods in the total synthesis of complex natural glycosides
You Yang,Xiaheng Zhang,Biao Yu Nat. Prod. Rep. 2015 32 1331
9. Subject index, 1991
J. Chem. Soc. Chem. Commun. 1991 S1
10. When the nine-membered enediynes play hide and seek
Micka?l Jean,Sophie Tomasi,Pierre van de Weghe Org. Biomol. Chem. 2012 10 7453

目录

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