Cas no 15167-85-8 (Phyllocactin)

Phyllocactin structure
Phyllocactin structure
Product Name:Phyllocactin
CAS No:15167-85-8
MF:C27H28N2O16
MW:636.515028953552
CID:200615
Update Time:2024-03-01

Phyllocactin Chemical and Physical Properties

Names and Identifiers

    • 2,6-Pyridinedicarboxylicacid, 4-[2-[(2S)-2-carboxy-5-[[6-O-(carboxyacetyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-,(2S)-
    • 2,6-Pyridinedicarboxylicacid, 4-[2-[(2S)-2-carboxy-5-[[6-O-(carboxyacetyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-1H-i
    • (15S)-Phyllocactin
    • 2,6-Pyridinedicarboxylicacid, 4-[2-[2-carboxy-5-[[6-O-(carboxyacetyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-,[S-(R*,R*)]-
    • Betanin 6'-(hydrogenmalonate)
    • Phyllocactin (8CI)
    • Phyllocactin
    • Inchi: 1S/C27H28N2O16/c30-16-7-14-11(5-15(26(41)42)29(14)2-1-10-3-12(24(37)38)28-13(4-10)25(39)40)6-17(16)44-27-23(36)22(35)21(34)18(45-27)9-43-20(33)8-19(31)32/h1-3,6-7,13,15,18,21-23,27,30,34-36H,4-5,8-9H2,(H,31,32)(H,37,38)(H,39,40)(H,41,42)/b2-1+/t13-,15-,18+,21+,22-,23+,27+/m0/s1
    • InChI Key: RCMQSTDOCANJCT-JSMQDHCFSA-N
    • SMILES: [C@H]1(C(O)=O)N=C(C(O)=O)C=C(/C=C/N2C3=C(C=C(O[C@@H]4O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3)C[C@H]2C(O)=O)C1

Computed Properties

  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 45
  • XLogP3: -1.921

Phyllocactin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$ 800.00 2023-09-06
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$12026.00 2023-05-17
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