Butanedioic acid, 1-[(3E,6S,16R)-16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl] ester

CAS Registry Number®

56448-20-5

CAS Name

Butanedioic acid, 1-[(3E,6S,16R)-16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl] ester

Molecular Formula

C20H30O7

Molecular Mass

382.45

Cite this Page

Butanedioic acid, 1-[(3E,6S,16R)-16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56448-20-5 (retrieved 2024-11-22) (CAS RN: 56448-20-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    121-122 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O7/c1-15-9-7-5-3-2-4-6-8-10-17(16(21)11-13-19(24)26-15)27-20(25)14-12-18(22)23/h11,13,15,17H,2-10,12,14H2,1H3,(H,22,23)/b13-11+/t15-,17+/m1/s1

InChIKey

InChIKey=CAOCHWFVLJETKN-SADTYBKJSA-N

SMILES

O(C(CCC(O)=O)=O)[C@@H]1C(=O)/C=C/C(=O)O[C@H](C)CCCCCCCCC1

Canonical SMILES

O=C1OC(C)CCCCCCCCCC(OC(=O)CCC(=O)O)C(=O)C=C1

Other Names for this Substance

  • Butanedioic acid, 1-[(3E,6S,16R)-16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl] ester
  • Butanedioic acid, mono(16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl) ester, [6S-(3E,6R*,16S*)]-
  • Butanedioic acid, mono[(3E,6S,16R)-16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl] ester
  • Oxacyclohexadecane, butanedioic acid deriv.
  • Mono(16-methyl-2,5-dioxooxacyclohexadec-3-en-6-yl) succinate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration