Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium (1:1), (T-4)-

CAS Registry Number®

61230-25-9

CAS Name

Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium (1:1), (T-4)-

Molecular Formula

C40H60BO14.Na

Cite this Page

Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium (1:1), (T-4)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61230-25-9 (retrieved 2024-11-22) (CAS RN: 61230-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1

InChIKey

InChIKey=GEIYDRPAWIMINR-UHFFFAOYSA-N

SMILES

CC1C23[O-][B+3]45[O-]C6(C([O-]4)C(=O)OC7CC(OC7C)C=CCC(O)C(C)(C)C(O2)CC1)OC(C(C)(C)C(O)CC=CC8CC(OC(=O)C3[O-]5)C(C)O8)CCC6C.[Na+]

Canonical SMILES

[Na+].O=C1OC2CC(OC2C)C=CCC(O)C(C)(C)C3OC4([O-][B+3]56[O-]C1C7(OC(CCC7C)C(C)(C)C(O)CC=CC8OC(C)C(OC(=O)C4[O-]5)C8)[O-]6)C(C)CC3

Other Names for this Substance

  • Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium (1:1), (T-4)-
  • Aplasmomycin
  • Borate(1-), [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-1,2,18,19-tetra(hydroxy-κO)-12,29-dihydroxy-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriaconta-9,26-diene-3,20-dionato(4-)]-, sodium, (T-4)-
  • 4,7,21,24,35,37-Hexaoxapentacyclo[29.3.1.15,8.114,18.122,25]octatriacontane, aplasmomycin deriv.
  • ICI 122378

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration