Cas no 53078-54-9 (Sirodesmin J)
Sirodesmin J structure
Product Name:Sirodesmin J
CAS No:53078-54-9
MF:C18H24N2O7S2
MW:444.522362709045
CID:2056524
PubChem ID:14540499
Update Time:2025-04-21
Sirodesmin J Chemical and Physical Properties
Names and Identifiers
-
- Sirodesmin J
- CHEMBL471147
- [(1R,3S,4S,5S,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',15-tetramethyl-3',9,14-trioxospiro[11,12,13-trithia-8,15-diazatetracyclo[8.3.2.01,8.03,7]pentadecane-5,2'-oxolane]-4-yl] acetate
- CHEBI:216083
- 53078-54-9
- ((1R,3S,4S,5S,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',15-tetramethyl-3',9,14-trioxospiro(11,12,13-trithia-8,15-diazatetracyclo(8.3.2.01,8.03,7)pentadecane-5,2'-oxolane)-4-yl) acetate
-
- Inchi： 1S/C18H24N2O7S2/c1-8-14(2,3)10(22)16(27-8)5-9-15(26,11(16)23)6-17-12(24)19(4)18(7-21,29-28-17)13(25)20(9)17/h8-9,11,21,23,26H,5-7H2,1-4H3
- InChI Key： ODGGLAWTFMFKDG-UHFFFAOYSA-N
- SMILES： CC1C(C)(C)C(=O)C2(C(O)C3(C(N4C5(C(N(C(SS5)(CO)C4=O)C)=O)C3)C2)O)O1
Computed Properties
- Exact Mass: 518.08512931Da
- Monoisotopic Mass: 518.08512931Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 33
- Rotatable Bond Count: 3
- Complexity: 994
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 210?2
Sirodesmin J Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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