Cas no 102907-32-4 (9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)-)
![9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)- structure](https://ossimg.kuujia.com/scimg/103000/102907-32-4x500.png)
102907-32-4 structure
Product Name:9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)-
CAS No:102907-32-4
MF:C26H30O12
MW:534.509209156036
CID:212861
Update Time:2024-02-29
9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)- Chemical and Physical Properties
Names and Identifiers
-
- 9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)-
- [2R,(-)]-2α-(3-Furanyl)-7α-(β-D-glucopyranosyloxy)-1,2,6,6a,7,7aα,8aα,9,9aα,9b-decahydro-6aα,9bβ-dimethyl-9β,7-(epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione
- 9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyr...
- 9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9
- (-)-Fibraurinoside
- 9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,[2R-(2a,6aa,7a,7aa,8aa,9b,9aa,9bb)]-
- Fibraurinoside
- 9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione, 2-(3-furanyl)-7-(β-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-, (2R,6aR,7S,7aS,8aS,9S,9aS,9bS)-
-
- Inchi： 1S/C26H30O12/c1-24-7-12(10-4-6-33-9-10)34-21(31)11(24)3-5-25(2)19(24)17-18-20(36-18)26(25,23(32)37-17)38-22-16(30)15(29)14(28)13(8-27)35-22/h3-4,6,9,12-20,22,27-30H,5,7-8H2,1-2H3/t12-,13-,14-,15+,16-,17-,18+,19+,20+,22+,24-,25-,26+/m1/s1
- InChI Key： PPILOQQTEQXAMT-HSWSLHEESA-N
- SMILES： O1[C@@]2([H])[C@]3([H])[C@@]4([H])[C@]5(C([H])([H])[H])C([H])([H])[C@]([H])(C6=C([H])OC([H])=C6[H])OC(C5=C([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@](C(=O)O3)([C@@]12[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])=O
Computed Properties
- Exact Mass: 534.1737
- Monoisotopic Mass: 534.174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 38
- Rotatable Bond Count: 4
- Complexity: 1080
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 178A^2
- XLogP3: -0.812
Experimental Properties
- PSA: 177.65
9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione,2-(3-furanyl)-7-(b-D-glucopyranosyloxy)-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-6a,9b-dimethyl-,(2R,6aR,7S,7aS,8aS,9S,9aS,9bS)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Related Categories
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