Chem
J-GLOBAL ID:200907050932508424   Nikkaji number:J127.408B

N,N′-Diacetyl-O-methyl-16,17-secodihydroaphelandrine

N,N′-ジアセチル-O-メチル-16,17-セコジヒドロアフェランドリン
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: C33H44N4O6
Molecular formula furigana: C33-H44-N4-O6
Molecular weight: 592.737
InChI: InChI=1S/C33H44N4O6/c1-23(38)35-15-4-5-16-36-17-6-14-34-32(41)22-30(37(24(2)39)19-7-18-35)26-10-13-31(40)28(21-26)29(33(36)42)20-25-8-11-27(43-3)12-9-25/h8-13,21,29-30,40H,4-7,14-20,22H2,1-3H3,(H,34,41)/t29-,30+/m1/s1
InChI key: VPABZYTXXSPGML-IHLOFXLRSA-N
SMILES: COc1ccc(C[C@@H]2c3cc(ccc3O)[C@@H]3CC(=O)NCCCN(CCCCN(CCCN3C(=O)C)C(=O)C)C2=O)cc1
Systematic name  (2):
  • (11S,17R)-6,10-ジアセチル-15-ヒドロキシ-17-[(4-メトキシフェニル)メチル]-1,6,10,22-テトラアザトリシクロ[9.7.6.112,16]ペンタコサ-12,14,16(25)-トリエン-18,23-ジオン
  • (11S,17R)-6,10-diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12,14,16(25)-triene-18,23-dione
Other name (3):
  • N,N′-ジアセチル-O-メチル-16,17-セコジヒドロアフェランドリン
  • N,N′-Diacetyl-O-methyl-16,17-secodihydroaphelandrine
  • (11S,17R)-6,10-Diacetyl-15-hydroxy-17-[(4-methoxyphenyl)methyl]-1,6,10,22-tetraazatricyclo[9.7.6.112,16]pentacosa-12,14,16(25)-triene-18,23-dione
CAS registry number: 69721-68-2
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