Ikarugamycin

CAS Registry Number®

36531-78-9

CAS Name

Ikarugamycin

Molecular Formula

C29H38N2O4

Molecular Mass

478.62

Cite this Page

Ikarugamycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36531-78-9 (retrieved 2024-11-23) (CAS RN: 36531-78-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,34H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1

InChIKey

InChIKey=WSUGGLXIPUHOSG-QOMLVTEJSA-N

SMILES

C(C)[C@H]1[C@]2([C@@]([C@@]3([C@@]([C@@]4([C@@](C3)(/C=C/C(=O)C5=C(O)[C@@](NC5=O)(CCCNC(=O)/C=C\C4)[H])[H])[H])(C=C2)[H])[H])(C[C@H]1C)[H])[H]

Canonical SMILES

O=C1C=CCC2C(C=CC(=O)C=3C(=O)NC(C3O)CCCN1)CC4C2C=CC5C(CC)C(C)CC54

Other Names for this Substance

  • 14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione, 3-ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-
  • Ikarugamycin
  • 14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine, ikarugamycin deriv.
  • (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-3-Ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-14,17-metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione
  • 14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione, 3-ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, [2R-(2R*,3R*,3aS*,5aR*,5bS*,14S*,20aS*,21aR*,21bR*)]-

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Deleted or Replaced CAS Registry Numbers

11091-37-5

CAS INSIGHTSTM
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