Cas no 53965-06-3 ( )
structure
Product Name:
CAS No:53965-06-3
MF:C21H16O7
MW:380.347546577454
CID:939399
PubChem ID:332529
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5-(3,4-dimethoxy-phenyl)-9-hydroxy-8H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
- 6'-hydroxyjusticidin B
- 9-(3',4'-dimethoxyphenyl)-4-hydroxy-6,7-methylenedioxynaphtho[2,3-c]furan-1(3H)-one
- 9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-methylenedioxynaphtho< 2,3-c> furan-1(3H)-one
- CHEMBL495476
- chinensinaphthol
- Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5-(3,4-dimethoxyphenyl)-9-hydroxy-
- LIGNAN D
- NSC329490
- SureCN4096679
- 9-(3,4-dimethoxyphenyl)-5-hydroxy-6H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
- 9-(3,4-dimethoxyphenyl)-5-hydroxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
- 53965-06-3
- LIGNAN DERIV
- DTXSID90318383
- NSC-329490
- SCHEMBL4096679
-
-
- Inchi： 1S/C21H16O7/c1-24-14-4-3-10(5-15(14)25-2)18-11-6-16-17(28-9-27-16)7-12(11)20(22)13-8-26-21(23)19(13)18/h3-7,22H,8-9H2,1-2H3
- InChI Key： ZYUVOQCJYNAWNV-UHFFFAOYSA-N
- SMILES： O1C(C2=C(C1)C(=C1C=C3C(=CC1=C2C1C=CC(=C(C=1)OC)OC)OCO3)O)=O
Computed Properties
- Exact Mass: 380.08958
- Monoisotopic Mass: 380.08960285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 597
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 83.4?2
Experimental Properties
- PSA: 83.45
Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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