Chem
J-GLOBAL ID：202107012067125960   Nikkaji number：J3.759.676K

Hatsusamide A

ハツサミドA
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： C39H46N2O10
Molecular formula furigana： C39-H46-N2-O10
Molecular weight： 702.801
InChI： InChI=1S/C39H46N2O10/c1-21-17-23(3)33-24(18-21)12-11-22(2)26(33)9-7-8-10-32(43)49-31-16-14-29(42)36-39(31,46)20-27(40-51-36)37(44)41(4)28-19-25-13-15-30(47-5)35(48-6)34(25)50-38(28)45/h7-16,19,21-24,26,29,31,33,36,42,46H,17-18,20H2,1-6H3/b9-7+,10-8+/t21-,22-,23+,24-,26-,29+,31+,33-,36-,39-/m0/s1
InChI key： ZMJURUZJDQGLEU-SGUSDJIISA-N
SMILES： [C@H]12C[C@H](C[C@H]([C@@H]1[C@H]([C@H](C=C2)C)/C=C/C=C/C(=O)O[C@@H]1C=C[C@H]([C@H]2[C@@]1(CC(=NO2)C(=O)N(c1c(=O)oc2c(c1)ccc(c2OC)OC)C)O)O)C)C
Systematic name  (2)：
  • (4aS,5R,8R,8aS)-3-[(7,8-ジメトキシ-2-オキソ-2H-クロメン-3-イル)(メチル)カルバモイル]-4a,8-ジヒドロキシ-4a,5,8,8a-テトラヒドロ-4H-1,2-ベンゾオキサジン-5-イル(2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-2,6,8-トリメチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]ペンタ-2,4-ジエノアート
  • (4aS,5R,8R,8aS)-3-[(7,8-dimethoxy-2-oxo-2H-chromen-3-yl)(methyl)carbamoyl]-4a,8-dihydroxy-4a,5,8,8a-tetrahydro-4H-1,2-benzoxazin-5-yl (2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
Other name (4)：
  • (4aS,5R,8R,8aS)-3-[(7,8-ジメトキシ-2-オキソクロメン-3-イル)(メチル)カルバモイル]-4a,8-ジヒドロキシ-4,5,8,8a-テトラヒドロ-1,2-ベンゾオキサジン-5-イル(2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-2,6,8-トリメチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]ペンタ-2,4-ジエノアート
  • ハツサミドA
  • (4aS,5R,8R,8aS)-3-[(7,8-dimethoxy-2-oxochromen-3-yl)(methyl)carbamoyl]-4a,8-dihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazin-5-yl (2E,4E)-5-[(1S,2S,4aR,6S,8R,8aS)-2,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
  • Hatsusamide A
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