Chem
J-GLOBAL ID:200907003573101013   Nikkaji number:J34.256D

Onetine【neutral】

オネチン【中性】
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: C19H29NO8
Molecular formula furigana: C19-H29-N-O8
Molecular weight: 399.440
InChI: InChI=1S/C19H29NO8/c1-11-9-19(26,12(2)21)17(24)28-14-6-8-20(4)7-5-13(15(14)22)10-27-16(23)18(11,3)25/h5,11-12,14,21,25-26H,6-10H2,1-4H3/t11-,12-,14-,18-,19+/m1/s1
InChI key: OCDRLZFZBHZTKQ-OCNBCVBRSA-N
SMILES: C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
Systematic name  (3):
  • (20R)-15,20-ジヒドロ-12,15α,20-トリヒドロキシ-4-メチル-4,8-セコセネシオナン-8,11,16-トリオン
  • (1R,4S,6R,7R)-4,7-ジヒドロキシ-4-[(1R)-1-ヒドロキシエチル]-6,7,14-トリメチル-2,9-ジオキサ-14-アザビシクロ[9.5.1]ヘプタデカ-11-エン-3,8,17-トリオン
  • (1R,4S,6R,7R)-4,7-dihydroxy-4-[(1R)-1-hydroxyethyl]-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Other name (3):
  • オネチン【中性】
  • Onetine【neutral】
  • (20R)-15,20-Dihydro-12,15α,20-trihydroxy-4-methyl-4,8-secosenecionan-8,11,16-trione
CAS registry number: 41451-67-6
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