Cas no 52466-83-8 (Hasubanan-6,16-dione, 8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7α,8β,10β)- (9CI))
52466-83-8 structure
Product Name:Hasubanan-6,16-dione, 8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7α,8β,10β)- (9CI)
CAS No:52466-83-8
MF:C21H25NO7
MW:278.42824g/mol
CID:382980
PubChem ID:101673501
Update Time:2024-03-01
Hasubanan-6,16-dione, 8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7α,8β,10β)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hasubanan-6,16-dione,8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7a,8b,10b)- (9CI)
- 4H,6H-3a,6-Methano-4,10b-propano-1H-[2]benzoxepino[4,5-b]pyrrole,hasubanan-6,16-dione deriv.
- Oxostephamiersine
- Stephamiersine, oxo-
- 4QOA0KT9IW
- Q27260371
- CID 101673501
- Hasubanan-6,16-dione, 8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7α,8β,10β)- (9CI)
- Hasubanan-6,16-dione, 8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7alpha,8beta,10beta)-
- HASUBANAN-6,16-DIONE, 8,10-EPOXY-3,4,7,8-TETRAMETHOXY-17-METHYL-, (7.ALPHA.,8.BETA.,10.BETA.)-
- UNII-4QOA0KT9IW
- 52466-83-8
-
- Inchi： 1S/C21H25NO7/c1-22-15(24)10-19-8-12(23)18(27-4)21(28-5)20(19,22)9-14(29-21)11-6-7-13(25-2)17(26-3)16(11)19/h6-7,14,18H,8-10H2,1-5H3/t14-,18+,19+,20-,21-/m0/s1
- InChI Key： UMLCCHVXIGOAFZ-NAHVHIFSSA-N
- SMILES： O1[C@@H]2C3C=CC(=C(C=3[C@]34CC([C@H]([C@]1([C@@]3(C2)N(C)C(C4)=O)OC)OC)=O)OC)OC
Computed Properties
- Exact Mass: 278.032273
- Monoisotopic Mass: 278.032273
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 745
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 83.5
Experimental Properties
- Density: 1.38±0.1 g/cm3(Predicted)
- Boiling Point: 603.9±55.0 °C(Predicted)
- pka: -2.46±0.60(Predicted)
Hasubanan-6,16-dione, 8,10-epoxy-3,4,7,8-tetramethoxy-17-methyl-, (7α,8β,10β)- (9CI) Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
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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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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