(1aR,1bS,3aR,3bR,4R,4aR,5aR,5bS,9R,9aS)-9-(1,2-Dihydroxy-1-methylethyl)-1a,1b,3a,4,4a,5a,5b,9-octahydro-4-hydroxy-3a,5b-dimethyl-3H,7H,9H-oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione

CAS Registry Number®

26804-82-0

CAS Name

(1aR,1bS,3aR,3bR,4R,4aR,5aR,5bS,9R,9aS)-9-(1,2-Dihydroxy-1-methylethyl)-1a,1b,3a,4,4a,5a,5b,9-octahydro-4-hydroxy-3a,5b-dimethyl-3H,7H,9H-oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione

Molecular Formula

C19H22O9

Molecular Mass

394.37

Cite this Page

(1aR,1bS,3aR,3bR,4R,4aR,5aR,5bS,9R,9aS)-9-(1,2-Dihydroxy-1-methylethyl)-1a,1b,3a,4,4a,5a,5b,9-octahydro-4-hydroxy-3a,5b-dimethyl-3H,7H,9H-oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26804-82-0 (retrieved 2024-11-08) (CAS RN: 26804-82-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    272-275 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H22O9/c1-16(24,5-20)14-19-6(4-7(21)25-14)17(2)10-8(13(19)28-19)27-15(23)18(10,3)11(22)9-12(17)26-9/h4,8-14,20,22,24H,5H2,1-3H3/t8-,9-,10+,11-,12-,13+,14+,16?,17+,18+,19-/m0/s1

InChIKey

InChIKey=LCHSSOYHOCFOEO-OPLBPNPBSA-N

SMILES

C(CO)(C)(O)[C@@H]1[C@]23[C@](O2)([C@@]4([C@@]5([C@@](C)(C3=CC(=O)O1)[C@@]6([C@@](O6)([C@H](O)[C@]5(C)C(=O)O4)[H])[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C(O)(C)CO)C23OC3C4OC(=O)C5(C)C(O)C6OC6C(C2=C1)(C)C45

Other Names for this Substance

  • 3H,7H,9H-Oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione, 9-(1,2-dihydroxy-1-methylethyl)-1a,1b,3a,4,4a,5a,5b,9-octahydro-4-hydroxy-3a,5b-dimethyl-, (1aR,1bS,3aR,3bR,4R,4aR,5aR,5bS,9R,9aS)-
  • 3H,7H,9H-Oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione, 9α-(1,2-dihydroxy-1-methylethyl)-1aβ,1bα,3a,3bα,4,4aβ,5aβ,5b-octahydro-4β-hydroxy-3aα,5bβ-dimethyl-
  • Podolactone B
  • 3H,7H,9H-Oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione, 9-(1,2-dihydroxy-1-methylethyl)-1a,1b,3a,3b,4,4a,5a,5b-octahydro-4-hydroxy-3a,5b-dimethyl-, (1aR,1bS,3aR,3bR,4R,4aS,5aR,5bS,9R,9aS)-
  • (1aR,1bS,3aR,3bR,4R,4aR,5aR,5bS,9R,9aS)-9-(1,2-Dihydroxy-1-methylethyl)-1a,1b,3a,4,4a,5a,5b,9-octahydro-4-hydroxy-3a,5b-dimethyl-3H,7H,9H-oxireno[i]oxireno[5,6]isobenzofuro[7,1-fg][2]benzopyran-3,7-dione

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CAS INSIGHTSTM
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