(4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-5a,5b,5c,7a,7b,8a,9,9a-Octahydro-4-[(1R)-1-hydroxy-1-methyl-2-(methylsulfonyl)ethyl]-7a,9a-dimethyl-2H,4H,7H-oxireno[i]oxireno[4,5]isobenzofuro[7,1-fg][2]benzopyran-2,7-dione

CAS Registry Number®

35470-59-8

CAS Name

(4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-5a,5b,5c,7a,7b,8a,9,9a-Octahydro-4-[(1R)-1-hydroxy-1-methyl-2-(methylsulfonyl)ethyl]-7a,9a-dimethyl-2H,4H,7H-oxireno[i]oxireno[4,5]isobenzofuro[7,1-fg][2]benzopyran-2,7-dione

Molecular Formula

C20H24O9S

Molecular Mass

440.46

Cite this Page

(4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-5a,5b,5c,7a,7b,8a,9,9a-Octahydro-4-[(1R)-1-hydroxy-1-methyl-2-(methylsulfonyl)ethyl]-7a,9a-dimethyl-2H,4H,7H-oxireno[i]oxireno[4,5]isobenzofuro[7,1-fg][2]benzopyran-2,7-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35470-59-8 (retrieved 2024-11-22) (CAS RN: 35470-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24O9S/c1-17-6-8-13(26-8)19(3)12(17)11(28-16(19)22)14-20(29-14)9(17)5-10(21)27-15(20)18(2,23)7-30(4,24)25/h5,8,11-15,23H,6-7H2,1-4H3/t8-,11-,12+,13-,14+,15+,17+,18-,19+,20-/m0/s1

InChIKey

InChIKey=AVQGMZMZZORTNF-KTFIAZJISA-N

SMILES

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

Canonical SMILES

O=C1OC(C(O)(C)CS(=O)(=O)C)C23OC3C4OC(=O)C5(C)C6OC6CC(C2=C1)(C)C45

Other Names for this Substance

  • 2H,4H,7H-Oxireno[i]oxireno[4,5]isobenzofuro[7,1-fg][2]benzopyran-2,7-dione, 5a,5b,5c,7a,7b,8a,9,9a-octahydro-4-[(1R)-1-hydroxy-1-methyl-2-(methylsulfonyl)ethyl]-7a,9a-dimethyl-, (4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-
  • Podolactone B, 1,2-deepoxy-3,16-dideoxy-2,3-epoxy-16-(methylsulfonyl)-, (2β,3β,15R)-
  • (4R,4aS,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-5a,5b,5c,7a,7b,8a,9,9a-Octahydro-4-[(1R)-1-hydroxy-1-methyl-2-(methylsulfonyl)ethyl]-7a,9a-dimethyl-2H,4H,7H-oxireno[i]oxireno[4,5]isobenzofuro[7,1-fg][2]benzopyran-2,7-dione
  • Podolactone C sulfone
  • Hallactone B

View All

CAS INSIGHTSTM
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