Gedunin

CAS Registry Number®

2753-30-2
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CAS Name

Gedunin

Molecular Formula

C28H34O7

Molecular Mass

482.57

Cite this Page

Gedunin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2753-30-2 (retrieved 2024-05-09) (CAS RN: 2753-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1

InChIKey

InChIKey=YJXDGWUNRYLINJ-BHAPSIHVSA-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]2OC(C)=O)(C(C)(C)C(=O)C=C6)[H])[H]

Canonical SMILES

O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C)C(OC(=O)C5OC54C13C)C6=COC=C6)C

Other Names for this Substance

  • Oxireno[c]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione, 5-(acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-, (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-
  • Gedunin
  • 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, acetate
  • D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5α,7α,13α,14β,15β,17aα)-
  • (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-5-(Acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-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

6512-19-2, 1164129-40-1

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