Calcimycin

CAS Registry Number®

52665-69-7
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CAS Name

Calcimycin

Molecular Formula

C29H37N3O6

Molecular Mass

523.62

Cite this Page

Calcimycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52665-69-7 (retrieved 2024-04-23) (CAS RN: 52665-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1

InChIKey

InChIKey=HIYAVKIYRIFSCZ-CYEMHPAKSA-N

SMILES

C[C@H]1[C@]2(O[C@]([C@@H](C(=O)C3=CC=CN3)C)([C@H](C)C1)[H])O[C@H](CC4=NC=5C(O4)=CC=C(NC)C5C(O)=O)[C@H](C)CC2

Canonical SMILES

O=C(O)C1=C2N=C(OC2=CC=C1NC)CC3OC4(OC(C(C(=O)C5=CC=CN5)C)C(C)CC4C)CCC3C

Other Names for this Substance

  • 4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-[[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-
  • 4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-[[3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-, [6S-[6α(2S*,3S*),8β(R*),9β,11α]]-
  • 1,7-Dioxaspiro[5.5]undecane, 4-benzoxazolecarboxylic acid deriv.
  • 5-(Methylamino)-2-[[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-4-benzoxazolecarboxylic acid
  • Antibiotic A 23187

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Deleted or Replaced CAS Registry Numbers

37259-87-3, 37263-57-3, 51257-80-8, 51310-65-7, 53095-21-9

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