Cas no 64766-15-0 (Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)-)
![Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)- structure](https://ossimg.kuujia.com/scimg/65000/64766-15-0x500.png)
64766-15-0 structure
Product Name:Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)-
Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)- Chemical and Physical Properties
Names and Identifiers
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- Card-20(22)-enolide,3-[(6-deoxy-2-O-b-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-,(3b,5b)- (9CI)
- Neoconvallatoxoloside
- Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)-
- CHEBI:186272
- 3-[3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
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- Inchi： 1S/C35H54O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3/t16-,18-,19+,20-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33-,34-,35-/m0/s1
- InChI Key： DGPZFZCNZRLKLF-OUXSSFJMSA-N
- SMILES： C([C@]12CC[C@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@]3([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O3)O)C[C@]1(CC[C@@]1([H])[C@]3(CC[C@H](C4COC(=O)C=4)[C@@]3(C)CC[C@]21[H])O)O)O
Computed Properties
- Exact Mass: 714.34627101g/mol
- Monoisotopic Mass: 714.34627101g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 50
- Rotatable Bond Count: 7
- Complexity: 1310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 18
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 245?2
Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
64766-15-0 (Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)-) Related Products
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