Isomigrastatin

CAS Registry Number®

415952-70-4
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CAS Name

Isomigrastatin

Molecular Formula

C27H39NO7

Molecular Mass

489.60

Cite this Page

Isomigrastatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=415952-70-4 (retrieved 2024-04-26) (CAS RN: 415952-70-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7-,13-8-,18-14+/t17-,19-,22-,26-,27-/m0/s1

InChIKey

InChIKey=TYTDEHCAAKKYOG-HHDWUUFDSA-N

SMILES

C(=C\[C@@H](C(CCCC1CC(=O)NC(=O)C1)=O)C)(\C)/[C@H]2[C@@H](C)[C@H](O)[C@@H](OC)/C=C\CC/C=C\C(=O)O2

Canonical SMILES

O=C1OC(C(=CC(C(=O)CCCC2CC(=O)NC(=O)C2)C)C)C(C)C(O)C(OC)C=CCCC=C1

Other Names for this Substance

  • 2,6-Piperidinedione, 4-[(5S,6E)-7-[(2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxooxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxo-6-octen-1-yl]-
  • 2,6-Piperidinedione, 4-[(5S,6E)-7-[(2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxooxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxo-6-octenyl]-
  • 4-[(5S,6E)-7-[(2R,3S,4S,5S,6E,10E)-4-Hydroxy-5-methoxy-3-methyl-12-oxooxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxo-6-octen-1-yl]-2,6-piperidinedione
  • Isomigrastatin

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