Cas no 118292-15-2 (6-O-Acetylscandoside)
6-O-Acetylscandoside structure
Product Name:6-O-Acetylscandoside
CAS No:118292-15-2
MF:C18H24O12
MW:432.375967025757
CID:2100815
PubChem ID:897
Update Time:2025-04-21
6-O-Acetylscandoside Chemical and Physical Properties
Names and Identifiers
-
- 6-O-Acetylscandoside
- (1S,4aS,5R,7aS)-5-(Acetyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-cyclopenta[c]pyran-4-carboxylic acid
- DB-089005
- 85461-03-6
- AB02322
- DB-044584
- 2-acetamido-2-deoxy-beta-d-glucopyranosyl amine
- 151167-15-6
- 118292-15-2
- SCHEMBL14426667
- 2-ACETAMIDO-1-AMINO-1,2-DIDEOXY-B-D-GLUC OPYRANOSE
- DB-114619
- 2-Acetamido-2-deoxy-beta-D-glucopyranosylamine, 97% (HPLC)
- DB-113678
- SCHEMBL23635309
- AKOS030212724
- AKOS040736204
- (1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
- FA146188
-
- Inchi: 1S/C18H24O12/c1-6(21)28-9-2-7(3-19)11-12(9)8(16(25)26)5-27-17(11)30-18-15(24)14(23)13(22)10(4-20)29-18/h2,5,9-15,17-20,22-24H,3-4H2,1H3,(H,25,26)
- InChI Key: DKSJVXMWGQVIEW-UHFFFAOYSA-N
- SMILES: CC(OC1C2C(C(=O)O)=COC(C2C(CO)=C1)OC1C(O)C(O)C(O)C(CO)O1)=O
Computed Properties
- Exact Mass: 220.10592162g/mol
- Monoisotopic Mass: 220.10592162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.64±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Soluble (150 g/l) (25 o C),
6-O-Acetylscandoside Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
118292-15-2 (6-O-Acetylscandoside) Related Products
- 14260-99-2(Daphylloside)
- 127214-79-3(Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-7-[[[[(1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-4-yl]carbonyl]oxy]methyl]-1,4a,5,7a-tetrahydro-, [(1S,4aS,7aS)-4-carboxy-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]py...)
- 127214-81-7(Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-7-[[[[(1S,4aS,7aS)-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-4-yl]carbonyl]oxy]methyl]-1,4a,5,7a-tetrahydro-,[(1S,4aS,7aS)-4-[[[(1S,4aS,7aS)-4-carboxy-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methoxy]carbonyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methylester, (1S,4aS,7aS)-)
- 49776-64-9(pentaacetyl geniposide)
- 127214-80-6(Cyclopenta[c]pyran-4-carboxylicacid, 7-[[[[(1S,4aS,7aS)-7-[(acetyloxy)methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]carbonyl]oxy]methyl]-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-,[(1S,4aS,7aS)-4-carboxy-1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methylester, (1S,4aS,7aS)- (9CI))
- 1309791-37-4(scyphiphin D)
- 14259-45-1(Asperuloside)
- 27530-67-2(Scandoside methyl ester)
- 52613-28-2(Methyl deacetylasperulosidate)
- 25368-11-0(Asperulosidic Acid)
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