Cas no 81203-56-7 (Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7R,7aR)-)
![Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7R,7aR)- structure](https://ossimg.kuujia.com/scimg/81500/81203-56-7x500.png)
81203-56-7 structure
Product Name:Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7R,7aR)-
CAS No:81203-56-7
MF:C17H26O10
MW:390.382346630096
CID:733569
PubChem ID:133626
Update Time:2025-04-19
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7R,7aR)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7R,7aR)-
- penstemonoside
- methyl (1R,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- DTXSID301001842
- 6alpha-8-epidihydrocornin
- Methyl 1-(hexopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- 81203-56-7
- 6alpha-8-epidihydro-cornin
- Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7beta,7aalpha))-
-
- Inchi： 1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,8-14,16-22H,3-4H2,1-2H3/t6-,8-,9+,10-,11+,12+,13-,14+,16+,17-/m0/s1
- InChI Key： MTMCJGRBRGDLOQ-QUYPTVEMSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]1[C@H]2[C@@H](C)C[C@@H]([C@H]2C(C(=O)OC)=CO1)O
Computed Properties
- Exact Mass: 390.153
- Monoisotopic Mass: 390.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 580
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 155A^2
- XLogP3: -1.4
Experimental Properties
- Density: 1.5
- Boiling Point: 610.7°C at 760 mmHg
- Flash Point: 218.6°C
- Refractive Index: 1.599
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-,methyl ester, (1S,4aS,5R,7R,7aR)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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