Cas no 96420-61-0 (Forsythin)
Forsythin structure
Product Name:Forsythin
CAS No:96420-61-0
MF:C20H27NO11
MW:457.428487062454
CID:800281
PubChem ID:34751
Update Time:2025-04-19
Forsythin Chemical and Physical Properties
Names and Identifiers
-
- Forsythin
- A0443
- Vitamin B17
- D-Amygdalin hydrate
- KBio1_000106
- amygdalin
- Spectrum4_001750
- Spectrum2_000904
- NCGC00178377-01
- BRD-A59552297-001-02-5
- DivK1c_000106
- D(-)-Amygdalin
- Spectrum_001192
- D-Amygdalin 100 microg/mL in Acetonitrile
- 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile
- 96420-61-0
- AKOS032949559
- Amygdalin,(S)
- DL-Amygdalin
- IDI1_000106
- Amygdalin, from apricot kernels, >=99%
- Mandelonitrile-beta-gentiobioside
- 51371-34-7
- SPBio_000748
- MFCD00866428
- SDCCGMLS-0066722.P001
- CHEBI:27613
- 6-O-BETA-D-GLUCOSIDO-BETA-D-GLUCOSIDE
- HMS500F08
- KBioSS_001672
- Amygdaloside
- Benzeneacetonitrile, alpha-[(6-O-.beta.-D-glucopyransoyl-.beta.-D-glucopyranosyl)oxy]-, (RS)-
- D(-)-Amygdalin hydrate
- Spectrum3_001534
- SR-05000002154-2
- KBio2_006808
- SCHEMBL131407
- NINDS_000106
- NCGC00178377-02
- [(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile
- Amygdalin, BioXtra, >=97.0% (HPLC)
- DTXSID001031434
- SR-05000002154
- Q27103225
- CCG-39554
- 29883-15-6
- BRD-A59552297-001-03-3
- 2-phenyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)acetonitrile
- BSPBio_002948
- NSC251222
- KBio3_002448
- AS-14698
- SPECTRUM1502244
- Spectrum5_000580
- KBioGR_002200
- D-Mandelonitrile 6-O-beta-D-glucosido-beta-D-glucoside
- 2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile
- HMS1921N18
- KBio2_004240
- 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
- CHEMBL515712
- D-Amygdalin
- KBio2_001672
-
- Inchi: 1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
- InChI Key: XUCIJNAGGSZNQT-SWRVSKMJSA-N
- SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O)OC(C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 457.15841068g/mol
- Monoisotopic Mass: 457.15841068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 32
- Rotatable Bond Count: 7
- Complexity: 638
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 202?2
Experimental Properties
- Melting Point: 181 oC
Forsythin Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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