Chem
J-GLOBAL ID：201607014792219256   Nikkaji number：J3.461.504G

Kadcoccinone E

カドコッシノンE
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： C29H44O4
Molecular formula furigana： C29-H44-O4
Molecular weight： 456.667
InChI： InChI=1S/C29H44O4/c1-16(15-21-24(32-21)18(3)30)28-13-12-27(7)19-8-9-22-25(4,5)23(31)10-11-26(22,6)20(19)14-17(2)29(27,28)33-28/h8,16-17,20-24,31H,9-15H2,1-7H3/t16-,17-,20-,21+,22+,23-,24+,26-,27+,28-,29-/m1/s1
InChI key： MAULQXDFCRYBPM-FSMLFBNNSA-N
SMILES： C[C@H](C[C@@H]1O[C@H]1C(=O)C)[C@]12CC[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4C[C@@H](C)[C@]13O2
Systematic name  (3)：
  • (9S,12R,13R,17R,23S,24R)-3α-ヒドロキシ-12-メチル-13,17:23,24-ジエポキシ-18,27-ジノル-5α-ラノスタ-7-エン-25-オン
  • 1-[(2R,3S)-3-[(2R)-2-[(2S,5R,7R,8R,10S,11R,14R,16R)-14-ヒドロキシ-2,8,11,15,15-ペンタメチル-6-オキサペンタシクロ[8.8.0.02,7.05,7.011,16]オクタデカ-1(18)-エン-5-イル]プロピル]オキシラン-2-イル]エタン-1-オン
  • 1-[(2R,3S)-3-[(2R)-2-[(2S,5R,7R,8R,10S,11R,14R,16R)-14-hydroxy-2,8,11,15,15-pentamethyl-6-oxapentacyclo[8.8.0.02,7.05,7.011,16]octadec-1(18)-en-5-yl]propyl]oxiran-2-yl]ethan-1-one
Other name (3)：
  • (9S,12R,13R,17R,23S,24R)-3α-Hydroxy-12-methyl-13,17:23,24-diepoxy-18,27-dinor-5α-lanosta-7-ene-25-one
  • カドコッシノンE
  • Kadcoccinone E
Thsaurus map：
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