Rhizoxin

CAS Registry Number®

90996-54-6
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CAS Name

Rhizoxin

Molecular Formula

C35H47NO9

Molecular Mass

625.75

Cite this Page

Rhizoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=90996-54-6 (retrieved 2024-04-19) (CAS RN: 90996-54-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1

InChIKey

InChIKey=OWPCHSCAPHNHAV-QIPOKPRISA-N

SMILES

C[C@@]12[C@](O1)(/C=C/[C@@H](C)[C@]3(C[C@@](C[C@]4([C@](C(=O)O[C@]([C@@H]([C@H](/C(=C/C=C/C(=C/C5=COC(C)=N5)/C)/C)OC)C)(C[C@@H]2O)[H])(O4)[H])[H])(CC(=O)O3)[H])[H])[H]

Canonical SMILES

O=C1OC2CC(C1)CC3OC3C(=O)OC(CC(O)C4(OC4C=CC2C)C)C(C)C(OC)C(=CC=CC(=CC=5N=C(OC5)C)C)C

Other Names for this Substance

  • Rhizoxin
  • 4,7,12,18-Tetraoxatetracyclo[15.3.1.03,5.011,13]heneicosane, rhizoxin deriv.
  • [1S-[1R*,3R*,5S*,8R*(1R*,2S*,3E,5E,7E),10R*,11S*,13S*,14E,16S*,17S*]]-10-Hydroxy-8-[2-methoxy-1,3,7-trimethyl-8-(2-methyl-4-oxazolyl)-3,5,7-octatrienyl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]heneicos-14-ene-6,19-dione
  • 4,7,12,18-Tetraoxatetracyclo[15.3.1.03,5.011,13]heneicos-14-ene-6,19-dione, 10-hydroxy-8-[2-methoxy-1,3,7-trimethyl-8-(2-methyl-4-oxazolyl)-3,5,7-octatrienyl]-11,16-dimethyl-, [1S-[1R*,3R*,5S*,8R*(1R*,2S*,3E,5E,7E),10R*,11S*,13S*,14E,16S*,17S*]]-
  • WF 1360

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Deleted or Replaced CAS Registry Numbers

1348612-03-2

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