Cas no 67244-49-9 (Pulchelloside I)
Pulchelloside I structure
Product Name:Pulchelloside I
CAS No:67244-49-9
MF:C17H26O12
MW:422.381146907806
CID:965653
PubChem ID:339057
Update Time:2025-04-19
Pulchelloside I Chemical and Physical Properties
Names and Identifiers
-
- methyl (1S,4aR,5R,6R,7S,7aR)-4a,5,6-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
- pulchelloside I
- DTXSID40320754
- 67244-49-9
- Pulchelloside
- NCI60_003341
- NSC-363977
- CHEMBL1995139
- NSC363977
- Pulchelloside I
-
- Inchi： 1S/C17H26O12/c1-5-8-15(29-16-12(22)11(21)10(20)7(3-18)28-16)27-4-6(14(24)26-2)17(8,25)13(23)9(5)19/h4-5,7-13,15-16,18-23,25H,3H2,1-2H3/t5-,7?,8-,9+,10?,11?,12?,13+,15-,16?,17-/m0/s1
- InChI Key： LGTHGFVYOAZGBN-NLGPCEMXSA-N
- SMILES： O[C@@]12C(C(=O)OC)=CO[C@H]([C@@H]1[C@H](C)[C@H]([C@H]2O)O)OC1C(C(C(C(CO)O1)O)O)O
Computed Properties
- Exact Mass: 422.142
- Monoisotopic Mass: 422.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 654
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 196A^2
- XLogP3: -2.9
Experimental Properties
- Density: 1.65
- Boiling Point: 650.1°C at 760 mmHg
- Flash Point: 231.3°C
- Refractive Index: 1.64
- PSA: 195.60000
- LogP: -4.06510
Pulchelloside I Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
67244-49-9 (Pulchelloside I) Related Products
- 24512-62-7(Gardenoside)
- 27856-54-8(Lamiide)
- 288248-46-4(Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)-)
- 17388-39-5(Swertiamarin)
- 18524-94-2(Loganin)
- 22255-40-9(Loganic acid)
- 25406-64-8(Morroniside)
- 14215-86-2(Sweroside)
- 548-37-8(Verbenalin)
- 23407-76-3(Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-,methyl ester, (1S,4aR,7aR)-)
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