Chem
J-GLOBAL ID：200907034011917749   Nikkaji number：J503.940A

Fhysallin D

フィサリンD
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： C28H32O11
Molecular formula furigana： C28-H32-O11
Molecular weight： 544.553
InChI： InChI=1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18+,22+,23-,24-,25-,26-,27-,28-/m0/s1
InChI key： DUGJJSWZRHBJJK-SEZAWMMNSA-N
SMILES： C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]45C)[C@]45O[C@@]13[C@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5
Systematic name  (3)：
  • (14S,16β,22R,25S)-14,17:14,27-ジエポキシ-5,6β,13,20,22-ペンタヒドロキシ-1,15-ジオキソ-16,24-シクロ-13,14-セコ-5α-エルゴスタ-2-エン-18,26-二酸18,20:26,22-ジラクトン
  • (1R,2S,5R,8S,9R,14R,15R,17R,18S,21S,24R,26S,27R)-5,14,15-トリヒドロキシ-2,9,26-トリメチル-3,19,23,28-テトラオキサオクタシクロ[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]ノナコサ-11-エン-4,10,22,29-テトラオン
  • (1R,2S,5R,8S,9R,14R,15R,17R,18S,21S,24R,26S,27R)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
Other name (4)：
  • フィサリンD
  • Fhysallin D
  • (14S,16β,22R,25S)-14,17:14,27-Diepoxy-5,6β,13,20,22-pentahydroxy-1,15-dioxo-16,24-cyclo-13,14-seco-5α-ergost-2-ene-18,26-dioic acid 18,20:26,22-dilactone
  • Physalin D
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