Chem
J-GLOBAL ID：200907073883257801   Nikkaji number：J1.455.957D

Khayanone

カヤノン
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： C27H34O8
Molecular formula furigana： C27-H34-O8
Molecular weight： 486.561
InChI： InChI=1S/C27H34O8/c1-25(2)20(19(29)24(32)33-5)27(4)16-6-8-26(3)17(14(16)10-15(21(25)30)22(27)31)11-18(28)35-23(26)13-7-9-34-12-13/h7,9,12,14-17,19-20,23,29H,6,8,10-11H2,1-5H3/t14-,15?,16+,17+,19?,20+,23+,26-,27-/m1/s1
InChI key： BDLVDWGNIMIECJ-YVOVQSASSA-N
SMILES： COC(=O)C(O)[C@H]1C(C)(C)C(=O)C2C[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O
Systematic name  (3)：
  • (13α,17aα)-21,23-エポキシ-2,8-メタノ-4,4-ジメチル-6-ヒドロキシ-1,3,16-トリオキソ-D-ホモ-24-ノル-17-オキサ-7,8-セコ-5α-コラ-20,22-ジエン-7-酸メチル
  • メチル 2-[(1R,2S,5R,6R,10S,11S,16S)-6-(フラン-3-イル)-1,5,15,15-テトラメチル-8,14,17-トリオキソ-7-オキサテトラシクロ[11.3.1.02,11.05,10]ヘプタデカン-16-イル]-2-ヒドロキシアセタート
  • methyl 2-[(1R,2S,5R,6R,10S,11S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadecan-16-yl]-2-hydroxyacetate
Other name (3)：
  • (13α,17aα)-21,23-Epoxy-2,8-methano-4,4-dimethyl-6-hydroxy-1,3,16-trioxo-D-homo-24-nor-17-oxa-7,8-seco-5α-chola-20,22-diene-7-oic acid methyl ester
  • カヤノン
  • Khayanone
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