Cas no 136849-88-2 (Macranthoidin B)

Macranthoidin B structure
Macranthoidin B structure
Product Name:Macranthoidin B
CAS No:136849-88-2
MF:C65H106O32
MW:1399.51796483994
MDL:MFCD20487834
CID:820425
Update Time:2024-11-02

Macranthoidin B Chemical and Physical Properties

Names and Identifiers

    • Macranthoidin B
    • Macranthoiside I
    • Olean-?12-?en-?28-?oic acid, 3-?[(O-?β-?D-?glucopyranosyl-?(1→4)?-?O-?β-?D-?glucopyranosyl-?(1→3)?-?O-?6-?deoxy-?α-?L-?mannopyranosyl-?(1→2)?-?α-?L-?arabinopyranosyl)?oxy]?-?23-?hydroxy-?, 6-?O-?β-?D-
    • Methyl undecanoate
    • (3beta,4alpha)-3-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester
    • [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]
    • MDL: MFCD20487834
    • Inchi: 1S/C65H106O32/c1-25-36(71)51(95-55-48(83)44(79)50(31(21-68)91-55)94-54-46(81)42(77)39(74)30(20-67)90-54)49(84)57(88-25)96-52-37(72)28(70)22-86-58(52)93-35-11-12-61(4)33(62(35,5)24-69)10-13-64(7)34(61)9-8-26-27-18-60(2,3)14-16-65(27,17-15-63(26,64)6)59(85)97-56-47(82)43(78)40(75)32(92-56)23-87-53-45(80)41(76)38(73)29(19-66)89-53/h8,25,27-58,66-84H,9-24H2,1-7H3
    • InChI Key: RKINZCVTEPSBCI-UHFFFAOYSA-N
    • SMILES: CC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(O)C(OC2C(OC3C(CO)(C)C4CCC5(C6(C(C7C(C(OC8C(O)C(O)C(O)C(COC9C(O)C(O)C(O)C(CO)O9)O8)=O)(CC6)CCC(C)(C)C7)=CCC5C4(C)CC3)C)C)OCC(O)C2O)O1

Computed Properties

  • Exact Mass: 1398.67000
  • Monoisotopic Mass: 1398.6667212 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 19
  • Hydrogen Bond Acceptor Count: 32
  • Heavy Atom Count: 97
  • Rotatable Bond Count: 18
  • Complexity: 2720
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 35
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.5
  • Molecular Weight: 1399.5
  • Topological Polar Surface Area: 512

Experimental Properties

  • Color/Form: Powder
  • Density: 1.55
  • PSA: 512.20000
  • LogP: -5.74780

Macranthoidin B Security Information

  • Safety Instruction: 24/25
  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

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Macranthoidin B Suppliers

Hubei Cuiyuan Biotechnology Co.,Ltd
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(CAS:136849-88-2)MacranthoidinB
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Amadis Chemical Company Limited
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(CAS:136849-88-2)Macranthoidin B
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Price ($):230.0
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(CAS:136849-88-2)Macranthoidin B
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(CAS:136849-88-2)MacranthoidinB
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Purity:99%
Quantity:10mg
Price ($):230.0
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