Chem
J-GLOBAL ID：200907013195179497   Nikkaji number：J500.248F

Physagulin F

フィサグリンF
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： C30H40O9
Molecular formula furigana： C30-H40-O9
Molecular weight： 544.641
InChI： InChI=1S/C30H40O9/c1-14-12-20(38-25(34)15(14)2)16(3)30-24(39-30)23(37-17(4)31)29(36)19-13-22(33)28(35)10-7-8-21(32)27(28,6)18(19)9-11-26(29,30)5/h7-8,16,18-20,22-24,33,35-36H,9-13H2,1-6H3/t16-,18+,19-,20-,22-,23+,24+,26+,27+,28+,29-,30+/m1/s1
InChI key： XIINLGCQYPFDPD-GCGXNVHFSA-N
SMILES： C[C@H]([C@H]1CC(=C(C)C(=O)O1)C)[C@]12O[C@H]1[C@H](OC(=O)C)[C@]1(O)[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]21C
Systematic name  (3)：
  • (17R,22R)-15α-アセトキシ-5,6β,14β,22-テトラヒドロキシ-16β,17-エポキシ-1-オキソ-5α-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]エチル]-2,16,17-トリヒドロキシ-7,11-ジメチル-12-オキソ-5-オキサペンタシクロ[8.8.0.02,7.04,6.011,16]オクタデカ-13-エン-3-イル アセタート
  • (1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-2,16,17-trihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl acetate
Other name (3)：
  • フィサグリンF
  • Physagulin F
  • (17R,22R)-15α-Acetoxy-5,6β,14β,22-tetrahydroxy-16β,17-epoxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone
Thsaurus map：
Thesaurus Map

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