Cas no 79483-68-4 (Dan-shen root extract)
Dan-shen root extract structure
Product Name:Dan-shen root extract
CAS No:79483-68-4
MF:C36H28O6
MW:556.603930473328
CID:567221
PubChem ID:105117
Update Time:2025-04-19
Dan-shen root extract Chemical and Physical Properties
Names and Identifiers
-
- Phenanthro(1,2-b)furan-10,11-dione, 8,9-dihydro-1,6-dimethyl-, mixt. with 6,7,8,9-tetrahydro-1-methyl-6-methylenephenanthro(1,2-b)furan-10,11-dione
- DanshenRootExtract
- Phenanthro(1,2-b)furan-10,11-dione, 8,9-dihydro-1,6-dimethyl-, mixt. with 6,7,8,9-tetrahydro-1-methyl-6-methylenephenanthro(1
- Dan-shen
- DTXSID401000530
- 1,6-dimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione;1-methyl-6-methylidene-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
- 1,6-Dimethyl-8,9-dihydrophenanthro[1,2-b]furan-10,11-dione--1-methyl-6-methylidene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione (1/1)
- 79483-68-4
- Salvia Miltiorrhiza Extract
- Dan-shen root extract
-
- Inchi： 1S/2C18H14O3/c2*1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h4,6-8H,3,5H2,1-2H3;6-8H,1,3-5H2,2H3
- InChI Key： WTPPRJKFRFIQKT-UHFFFAOYSA-N
- SMILES： O1C=C(C)C2C(C(C3=C(C=CC4C(=C)CCCC=43)C1=2)=O)=O.O1C=C(C)C2C(C(C3=C(C=CC4C(C)=CCCC3=4)C1=2)=O)=O
Computed Properties
- Exact Mass: 556.18858861g/mol
- Monoisotopic Mass: 556.18858861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 42
- Rotatable Bond Count: 0
- Complexity: 1030
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 94.6?2
Dan-shen root extract Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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