Cas no 155969-79-2 (Hexaspermone C)
Hexaspermone C structure
Product Name:Hexaspermone C
CAS No:155969-79-2
MF:C33H28O10
MW:584.57067497682
CID:231513
Update Time:2024-03-01
Hexaspermone C Chemical and Physical Properties
Names and Identifiers
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- [2,2'-Bi-4H-1-benzopyran]-4,4'-dione,2,2',3,3'-tetrahydro-5,5'-dihydroxy-3-(4-hydroxyphenyl)-7,7'-dimethoxy-3'-(4-methoxyphenyl)-,(2R,2'R,3S,3'S)-rel-
- [2,2'-Bi-4H-1-benzopyran]-4,4'-dione,2,2',3,3'-tetrahydro-5,5'-dihydroxy-3-(4-hydroxyphenyl)-7,7'-dimethoxy-3'-(4-methoxyphen
- [2,2'-Bi-4H-1-benzopyran]-4,4'-dione,2,2',3,3'-tetrahydro-5,5'-dihydroxy-3-(4-hydroxyphenyl)-7,7'-dimethoxy-3'-(4-methoxyphenyl)-,[2a(2'R*,3'S*),3b]-
- Hexaspermone C
- [2,2'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5'-dihydroxy-3-(4-hydroxyphenyl)-7,7'-dimethoxy-3'-(4-methoxyphenyl)-, (2R,2'R,3S,3'S)-rel-
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- Inchi： 1S/C33H28O10/c1-39-19-10-6-17(7-11-19)27-31(38)29-23(36)13-21(41-3)15-25(29)43-33(27)32-26(16-4-8-18(34)9-5-16)30(37)28-22(35)12-20(40-2)14-24(28)42-32/h4-15,26-27,32-36H,1-3H3/t26-,27-,32-,33-/m1/s1
- InChI Key： XAUSQNNRKWXTIE-NCDPTZDWSA-N
- SMILES： [C@@H]1([C@@H]2OC3=CC(OC)=CC(O)=C3C(=O)[C@H]2C2=CC=C(OC)C=C2)OC2=CC(OC)=CC(O)=C2C(=O)[C@H]1C1=CC=C(O)C=C1
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 43
- XLogP3: 1.761
Hexaspermone C Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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