Chem
J-GLOBAL ID:200907016372299790   Nikkaji number:J571.465F

4,12-Dideoxy-12-oxo-4-(methoxyimino)-4,12-secoryanodol 3-(1H-pyrrole-2-carboxylate)

4,12-ジデオキシ-12-オキソ-4-(メトキシイミノ)-4,12-セコリアノドール3-(1H-ピロール-2-カルボキシラート)
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: C26H36N2O9
Molecular formula furigana: C26-H36-N2-O9
Molecular weight: 520.578
InChI: InChI=1S/C26H36N2O9/c1-13(2)25(34)18(36-19(30)15-8-7-11-27-15)16(28-35-6)21(4)12-24(33)22(25,5)20(31)26(37-24)17(29)14(3)9-10-23(21,26)32/h7-8,11,13-14,17-18,27,29,32-34H,9-10,12H2,1-6H3/t14-,17+,18-,21+,22+,23-,24-,25+,26-/m0/s1
InChI key: KAKRSEIFUVUIKQ-FSWWDLGLSA-N
SMILES: CON=C1[C@H](OC(=O)c2ccc[nH]2)[C@](O)(C(C)C)[C@]2(C)C(=O)[C@]34O[C@@]2(O)C[C@@]1(C)[C@@]3(O)CC[C@H](C)[C@H]4O
Systematic name  (3):
  • 4,12-ジデオキシ-12-オキソ-4-(メトキシイミノ)-4,12-セコリアノドール3-(1H-ピロール-2-カルボキシラート)
  • (1R,2S,5S,6R,7R,9S,10R,11S,12S)-2,6,9,11-テトラヒドロキシ-13-(メトキシイミノ)-1,5,10-トリメチル-15-オキソ-11-(プロパン-2-イル)-8-オキサテトラシクロ[7.4.1.17,10.02,7]ペンタデカン-12-イル 1H-ピロール-2-カルボキシラート
  • (1R,2S,5S,6R,7R,9S,10R,11S,12S)-2,6,9,11-tetrahydroxy-13-(methoxyimino)-1,5,10-trimethyl-15-oxo-11-(propan-2-yl)-8-oxatetracyclo[7.4.1.17,10.02,7]pentadecan-12-yl 1H-pyrrole-2-carboxylate
Other name (1):
  • 4,12-Dideoxy-12-oxo-4-(methoxyimino)-4,12-secoryanodol 3-(1H-pyrrole-2-carboxylate)
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