Cas no 81604-85-5 (Neocarzinostatin chromophore)
Neocarzinostatin chromophore structure
Product Name:Neocarzinostatin chromophore
CAS No:81604-85-5
MF:C35H33NO12
MW:659.636030912399
CID:986909
Update Time:2024-03-01
Neocarzinostatin chromophore Chemical and Physical Properties
Names and Identifiers
-
- 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
- Neocarzinostatin chromophore
-
- 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
- InChI Key: QZGIWPZCWHMVQL-UIYAJPBUSA-N
- 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|
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 48
- Rotatable Bond Count: 8
- Complexity: 1520
- Topological Polar Surface Area: 175
Neocarzinostatin chromophore Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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