Deacetylgedunin

CAS Registry Number®

10314-90-6
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CAS Name

Deacetylgedunin

Molecular Formula

C26H32O6

Molecular Mass

440.53

Cite this Page

Deacetylgedunin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10314-90-6 (retrieved 2024-06-26) (CAS RN: 10314-90-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    250-272 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1

InChIKey

InChIKey=HCEYJYMNIQHPPK-DXTZDJJUSA-N

SMILES

C[C@]12[C@]34[C@](C)([C@@H](OC(=O)[C@]3(O4)[H])C=5C=COC5)CC[C@@]1([C@]6(C)[C@@](C[C@H]2O)(C(C)(C)C(=O)C=C6)[H])[H]

Canonical SMILES

O=C1OC(C2=COC=C2)C3(C)CCC4C5(C=CC(=O)C(C)(C)C5CC(O)C4(C)C63OC16)C

Other Names for this Substance

  • Oxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione, 1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-5-hydroxy-4b,7,7,10a,12a-pentamethyl-, (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-
  • 16,17-Seco-24-nor-5α,13α,14β,17α-chola-1,20,22-trien-16-oic acid, 14,15β:21,23-diepoxy-7α,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone
  • D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-, (5α,7α,13α,14β,15β,17aα)-
  • Gedunin, 7-deacetyl-
  • (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-1-(3-Furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-5-hydroxy-4b,7,7,10a,12a-pentamethyloxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione

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Deleted or Replaced CAS Registry Numbers

101509-56-2