Cas no 113963-58-9 (8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)-)
![8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)- structure](https://www.zycbd.com/images/noimg.png)
113963-58-9 structure
Product Name:8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)-
CAS No:113963-58-9
MF:C22H35NO5
MW:393.517843958122
CID:206092
Update Time:2024-03-01
8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)- Chemical and Physical Properties
Names and Identifiers
-
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)-
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3
- 7,20-Cycloatidane-2,3,15,16,17-pentol,21-ethyl-4-methyl-, (2a,3a,15b)-
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-, [3R-(3a,4b,5b,6aa,6ba,8b,9a,10b,10ab,11a,11ab,13S*)]-
- Macrocentrine
-
- Inchi： InChI=1S/C22H35NO5/c1-3-23-9-19(2)14-7-12-16(23)21(14,8-13(25)17(19)26)15-6-11-4-5-20(12,15)18(27)22(11,28)10-24/h11-18,24-28H,3-10H2,1-2H3
- InChI Key： WCSCSDALNSVOAH-UHFFFAOYSA-N
- SMILES： [C@@]12([C@@H]([C@@H](C[C@@]34[C@H]5[C@]6([C@@H](C[C@H]23)[C@H]4N(C1)CC)[C@@H]([C@@]([C@H](C5)CC6)(CO)O)O)O)O)C
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- XLogP3: 0.9
8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
113963-58-9 (8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-4,5,9,10-tetrol,1-ethyldodecahydro-9-(hydroxymethyl)-3-methyl-,(3R,4S,5R,6aR,6bS,8S,9R,10S,10aR,11S,11aS,13S)-) Related Products
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