Butanoic acid, 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, [2R-(2R*,3S*,6S*,7R*,8R*)]-

CAS Registry Number®

117552-77-9

CAS Name

Butanoic acid, 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, [2R-(2R*,3S*,6S*,7R*,8R*)]-

Molecular Formula

C27H38N2O9

Molecular Mass

534.60

Cite this Page

Butanoic acid, 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, [2R-(2R*,3S*,6S*,7R*,8R*)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117552-77-9 (retrieved 2024-12-22) (CAS RN: 117552-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142.6-144.7 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H38N2O9/c1-5-7-8-9-12-19-24(38-21(31)11-6-2)17(4)37-27(35)22(16(3)36-26(19)34)29-25(33)18-13-10-14-20(23(18)32)28-15-30/h10,13-17,19,22,24,32H,5-9,11-12H2,1-4H3,(H,28,30)(H,29,33)/t16-,17+,19-,22+,24+/m1/s1

InChIKey

InChIKey=LYDAGTPXPZARPR-GFRRLMGDSA-N

SMILES

C(CCCCC)[C@@H]1[C@@H](OC(CCC)=O)[C@H](C)OC(=O)[C@@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)[C@@H](C)OC1=O

Canonical SMILES

O=CNC1=CC=CC(C(=O)NC2C(=O)OC(C)C(OC(=O)CCC)C(C(=O)OC2C)CCCCCC)=C1O

Other Names for this Substance

  • Butanoic acid, 3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, [2R-(2R*,3S*,6S*,7R*,8R*)]-
  • 1,5-Dioxonane, butanoic acid deriv.
  • Antimycin A2b

CAS INSIGHTSTM
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