Cas no 64280-19-9 ([3,6'-Bi-2H-1-benzopyran]-4(3H)-one,5,7-dihydroxy-5'-methoxy-2',2'-dimethyl- (9CI))
![[3,6'-Bi-2H-1-benzopyran]-4(3H)-one,5,7-dihydroxy-5'-methoxy-2',2'-dimethyl- (9CI) structure](https://ossimg.kuujia.com/scimg/64500/64280-19-9x500.png)
64280-19-9 structure
Product Name:[3,6'-Bi-2H-1-benzopyran]-4(3H)-one,5,7-dihydroxy-5'-methoxy-2',2'-dimethyl- (9CI)
CAS No:64280-19-9
MF:C21H20O6
MW:368.379906654358
CID:516218
Update Time:2024-03-01
[3,6'-Bi-2H-1-benzopyran]-4(3H)-one,5,7-dihydroxy-5'-methoxy-2',2'-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- [3,6'-Bi-2H-1-benzopyran]-4(3H)-one,5,7-dihydroxy-5'-methoxy-2',2'-dimethyl- (9CI)
- Isosophoronol
-
- Inchi： 1S/C21H20O6/c1-21(2)7-6-13-16(27-21)5-4-12(20(13)25-3)14-10-26-17-9-11(22)8-15(23)18(17)19(14)24/h4-9,14,22-23H,10H2,1-3H3
- InChI Key： OZWAYRPZCFAHRV-UHFFFAOYSA-N
- SMILES： C1OC2=CC(O)=CC(O)=C2C(=O)C1C1C(OC)=C2C(=CC=1)OC(C)(C)C=C2
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- XLogP3: 1.872
[3,6'-Bi-2H-1-benzopyran]-4(3H)-one,5,7-dihydroxy-5'-methoxy-2',2'-dimethyl- (9CI) Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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