Tetronasin

CAS Registry Number®

75139-06-9
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CAS Name

Tetronasin

Molecular Formula

C35H54O8

Molecular Mass

602.80

Cite this Page

Tetronasin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75139-06-9 (retrieved 2024-09-19) (CAS RN: 75139-06-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36-37H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33+,34-/m1/s1

InChIKey

InChIKey=BJUFZCRLMQPLMO-RHKPWOOXSA-N

SMILES

[C@H](C(=O)C1=C(O)COC1=O)(C)[C@@]2([C@@H](/C=C(\CO)/[C@@H]3O[C@H](/C=C/[C@H](C)[C@@]4(O[C@@]([C@@H](OC)C)(C[C@@H]4C)[H])[H])CC[C@H]3C)CCC[C@H]2C)[H]

Canonical SMILES

O=C1OCC(O)=C1C(=O)C(C)C2C(C=C(CO)C3OC(C=CC(C)C4OC(CC4C)C(OC)C)CCC3C)CCCC2C

Other Names for this Substance

  • 2(5H)-Furanone, 4-hydroxy-3-[(2S)-2-[(1S,2S,6R)-2-[(1E)-3-hydroxy-2-[(2R,3R,6S)-tetrahydro-3-methyl-6-[(1E,3S)-3-[(2R,3S,5R)-tetrahydro-5-[(1S)-1-methoxyethyl]-3-methyl-2-furanyl]-1-buten-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-
  • Tetronomycin, 4-demethylene-22,24-dimethyl-, (6S,7S,8R,12S,15R,16R,19S,22S,23R,24S,26R,27S)-
  • 2(5H)-Furanone, 4-hydroxy-3-[(2S)-2-[(1S,2S,6R)-2-[(1E)-3-hydroxy-2-[(2R,3R,6S)-tetrahydro-3-methyl-6-[(1E,3S)-3-[(2R,3S,5R)-tetrahydro-5-[(1S)-1-methoxyethyl]-3-methyl-2-furanyl]-1-butenyl]-2H-pyran-2-yl]-1-propenyl]-6-methylcyclohexyl]-1-oxopropyl]-
  • 4-Hydroxy-3-[(2S)-2-[(1S,2S,6R)-2-[(1E)-3-hydroxy-2-[(2R,3R,6S)-tetrahydro-3-methyl-6-[(1E,3S)-3-[(2R,3S,5R)-tetrahydro-5-[(1S)-1-methoxyethyl]-3-methyl-2-furanyl]-1-buten-1-yl]-2H-pyran-2-yl]-1-propen-1-yl]-6-methylcyclohexyl]-1-oxopropyl]-2(5H)-furanone
  • Antibiotic M 139603

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Deleted or Replaced CAS Registry Numbers

93443-43-7