Cas no 27498-90-4 (2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-)
27498-90-4 structure
Product Name:2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-
CAS No:27498-90-4
MF:C17H25NO4
MW:307.384705305099
CID:269902
Update Time:2025-04-19
2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)- Chemical and Physical Properties
Names and Identifiers
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- 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,
- 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)-
- (-)-Stemonine
- 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-(tetrahydro-4-methyl-5-oxo-2-furanyl)-, [1S-[1a,3ab,8a(2R*,4R*),10aa,10ba]]-
- Stemonine
- Stemonine (C17 alkaloid)(8CI)
- (1S,3aβ,10aα,10bα)-Decahydro-1α-methyl-8α-[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-one
- Stemonine【C17 alkaloid】
- (1S,3aR,7S,9aS,9bR)-1-methyl-7-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)decahydro-3-oxa-6a-azacyclopenta[e]azulen-2-one
- 2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one, decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (1S,3aR,8S,10aS,10bR)-
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- Inchi: 1S/C17H25NO4/c1-9-8-14(22-16(9)19)11-5-6-12-15-10(2)17(20)21-13(15)4-3-7-18(11)12/h9-15H,3-8H2,1-2H3/t9-,10-,11-,12-,13+,14-,15+/m0/s1
- InChI Key: HTLBMAZNGBFLEY-FICWEOCZSA-N
- SMILES: N12[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@@]1([H])[C@@]1([H])[C@H](C)C(=O)O[C@]1([H])CCC2
Computed Properties
- Exact Mass: 307.17845
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- XLogP3: 1.701
Experimental Properties
- PSA: 55.84
2H-Furo[3,2-c]pyrrolo[1,2-a]azepin-2-one,decahydro-1-methyl-8-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-,(1S,3aR,8S,10aS,10bR)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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