(1S,3aS,4aR,4bR,6aR,11aR,11bR,12S,13aS)-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-12-hydroxy-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione

CAS Registry Number®

23885-43-0
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CAS Name

(1S,3aS,4aR,4bR,6aR,11aR,11bR,12S,13aS)-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-12-hydroxy-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione

Molecular Formula

C26H30O8

Molecular Mass

470.51

Cite this Page

(1S,3aS,4aR,4bR,6aR,11aR,11bR,12S,13aS)-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-12-hydroxy-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23885-43-0 (retrieved 2024-05-02) (CAS RN: 23885-43-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    257-259 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15-,18+,19-,20+,23-,24-,25+,26+/m0/s1

InChIKey

InChIKey=OZGKITZRRFNYRV-CHALWBKJSA-N

SMILES

C[C@]12[C@]34[C@](O3)(C(=O)O[C@H]([C@]4(C)C[C@H](O)[C@@]1([C@]5(C)[C@@](CC2=O)(C(C)(C)OC(=O)C=C5)[H])[H])C=6C=COC6)[H]

Canonical SMILES

O=C1OC(C)(C)C2CC(=O)C3(C)C(C(O)CC4(C)C(OC(=O)C5OC534)C6=COC=C6)C2(C=C1)C

Other Names for this Substance

  • Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-12-hydroxy-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11aR,11bR,12S,13aS)-
  • Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aαH,4bH,6H)-trione, 1α-(3-furyl)-1,6aα,7,11a,11bα,12,13,13a-octahydro-12β-hydroxy-4bβ,7,7,11aβ,13aα-pentamethyl-
  • Obacunoic acid, 11-hydroxy-, 3,4-lactone, (11β)-
  • (1S,3aS,4aR,4bR,6aR,11aR,11bR,12S,13aS)-1-(3-Furanyl)-1,6a,7,11a,11b,12,13,13a-octahydro-12-hydroxy-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione
  • Zapoterin

View All

Deleted or Replaced CAS Registry Numbers

17182-57-9, 35796-71-5

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