Holothurin B

CAS Registry Number®

11052-32-7
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CAS Name

Holothurin B

Molecular Formula

C41H64O17S.Na

Cite this Page

Holothurin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=11052-32-7 (retrieved 2024-05-04) (CAS RN: 11052-32-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223-224 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H64O17S.Na/c1-19-27(43)29(45)30(46)32(53-19)55-31-28(44)22(58-59(49,50)51)18-52-33(31)54-25-12-14-37(6)21-17-24(42)41-34(47)57-39(8,26-11-13-35(2,3)56-26)40(41,48)16-15-38(41,7)20(21)9-10-23(37)36(25,4)5;/h17,19-20,22-33,42-46,48H,9-16,18H2,1-8H3,(H,49,50,51);

InChIKey

InChIKey=MBASXDMKDCTMEM-UHFFFAOYSA-N

SMILES

OC12C3(C(C)(C4C(=CC3O)C5(C)C(CC4)C(C)(C)C(OC6C(OC7C(O)C(O)C(O)C(C)O7)C(O)C(OS(=O)(=O)O)CO6)CC5)CC1)C(=O)OC2(C)C8CCC(C)(C)O8.[Na]

Canonical SMILES

[Na].O=C1OC(C)(C2OC(C)(C)CC2)C3(O)CCC4(C)C5C(=CC(O)C134)C6(C)CCC(OC7OCC(OS(=O)(=O)O)C(O)C7OC8OC(C)C(O)C(O)C8O)C(C)(C)C6CC5

Other Names for this Substance

  • Lanost-9(11)-en-18-oic acid, 3-[[2-O-(6-deoxy-β-D-glucopyranosyl)-4-O-sulfo-β-D-xylopyranosyl]oxy]-22,25-epoxy-12,17,20-trihydroxy-, γ-lactone, sodium salt (1:1), (3β,12α,22S)-
  • Lanost-9(11)-en-18-oic acid, 3-[[2-O-(6-deoxy-β-D-glucopyranosyl)-4-O-sulfo-β-D-xylopyranosyl]oxy]-22,25-epoxy-12,17,20-trihydroxy-, γ-lactone, monosodium salt, (3β,12α,22S)-
  • Holothurin B

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