Cas no 215932-85-7 (1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)-)
215932-85-7 structure
Product Name:1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)-
CAS No:215932-85-7
MF:C19H25NO6
MW:363.40490603447
CID:2729553
PubChem ID:10832535
Update Time:2024-03-01
1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)-
- methyl (1R,6R,8R)-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
- (+)-Amphorogynine A
- 1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-(3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy)-, methyl ester, (1R,6R,7aR)-
- 215932-85-7
- Amphorogynine A
- (-)-Amphorogynine B
- (-)-Amphorogynine C
- Amphorogynine B
-
- Inchi: 1S/C19H25NO6/c1-24-17-9-12(3-5-16(17)21)4-6-18(22)26-13-10-15-14(19(23)25-2)7-8-20(15)11-13/h3,5,9,13-15,21H,4,6-8,10-11H2,1-2H3/t13-,14-,15-/m1/s1
- InChI Key: GHHWIUJHEXDOEU-RBSFLKMASA-N
- SMILES: N12CC[C@@H](C(OC)=O)[C@@]1([H])C[C@@H](OC(=O)CCC1=CC=C(O)C(OC)=C1)C2
Computed Properties
- Exact Mass: 363.16818752g/mol
- Monoisotopic Mass: 363.16818752g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 8
- Complexity: 512
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 85.3?2
1H-Pyrrolizine-1-carboxylic acid, hexahydro-6-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropoxy]-, methyl ester, (1R,6R,7aR)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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