Cas no 108906-55-4 (2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1R,4aS,5R,7S,8aS)- (9CI))
![2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1R,4aS,5R,7S,8aS)- (9CI) structure](https://ossimg.kuujia.com/scimg/109000/108906-55-4x500.png)
108906-55-4 structure
Product Name:2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1R,4aS,5R,7S,8aS)- (9CI)
CAS No:108906-55-4
MF:C26H40O9
MW:496.59040927887
CID:227935
Update Time:2024-03-01
2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1R,4aS,5R,7S,8aS)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1R,4aS,5R,7S,8aS)- (9CI)
- 2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1
- 2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,[1R-(1a,4ab,5a,7b,8aa)]-
- Phloganthoside
- 2(5H)-Furanone, 3-[2-[5-[(β-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-, (1R,4aS,5R,7S,8aS)-
-
- Inchi： 1S/C26H40O9/c1-14-4-7-19-25(2,13-34-24-22(31)21(30)20(29)18(12-27)35-24)10-16(28)11-26(19,3)17(14)6-5-15-8-9-33-23(15)32/h8,16-22,24,27-31H,1,4-7,9-13H2,2-3H3
- InChI Key： HIXYOYFHACNMSL-UHFFFAOYSA-N
- SMILES： CC1(C2C(C(C(CC2)=C)CCC2C(=O)OCC=2)(C)CC(O)C1)COC1C(O)C(O)C(O)C(CO)O1
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 35
- XLogP3: 2.129
Experimental Properties
- Density: 1.32±0.1 g/cm3(Predicted)
- Boiling Point: 704.6±60.0 °C(Predicted)
- PSA: 52.54
- pka: 12.93±0.70(Predicted)
2(5H)-Furanone,3-[2-[5-[(b-D-glucopyranosyloxy)methyl]decahydro-7-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-,(1R,4aS,5R,7S,8aS)- (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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