Chem
J-GLOBAL ID：200907018518247596   Nikkaji number：J14.501G

Gedunin

ゲズニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H34O7
Molecular formula furigana： C28-H34-O7
Molecular weight： 482.573
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
InChI key： YJXDGWUNRYLINJ-BHAPSIHVSA-N
SMILES： CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1
Systematic name  (5)：
  • (17aα)-7α-アセチルオキシ-14,15β-エポキシ-17-オキサ-D-ホモメリアカ-1-エン-3,16-ジオン
  • (13α,17aα)-7α-アセトキシ-14β,15β:21,23-ジエポキシ-4,4,8-トリメチル-D-ホモ-24-ノル-17-オキサ-5α-コラ-1,20,22-トリエン-3,16-ジオン
  • (13S,17aS)-7α-アセトキシ-14,15β-エポキシ-17-オキサ-D-ホモメリアカン-1-エン-3,16-ジオン
  • (1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(フラン-3-イル)-1,8,12,16,16-ペンタメチル-5,15-ジオキソ-3,6-ジオキサペンタシクロ[9.8.0.02,4.02,8.012,17]ノナデカ-13-エン-19-イル アセタート
  • (1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl acetate
Other name (5)：
  • ゲズニン
  • Gedunin
  • (13α,17aα)-7α-Acetoxy-14β,15β:21,23-diepoxy-4,4,8-trimethyl-D-homo-24-nor-17-oxa-5α-chola-1,20,22-triene-3,16-dione
  • (17aα)-7α-Acetyloxy-14,15β-epoxy-17-oxa-D-homomeliaca-1-ene-3,16-dione
  • (13S,17aS)-7α-Acetoxy-14,15β-epoxy-17-oxa-D-homomeliacane-1-ene-3,16-dione
CAS registry number： 2753-30-2
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