Chem
J-GLOBAL ID:200907030704948952   Nikkaji number:J1.344.462E

Caracurine V

カラクリンV
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: C38H40N4O2
Molecular formula furigana: C38-H40-N4-O2
Molecular weight: 584.764
InChI: InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-/m0/s1
InChI key: CIRUUTNLDXXBKU-AYVXDJRWSA-N
SMILES: C1C[C@]23[C@@H]4C[C@@H]5[C@@H]6[C@@H]2N([C@@H]2OCC=C7CN8CC[C@]9%10[C@@H]8C[C@@H]7[C@@H]2[C@@H]9N([C@@H]6OCC=C5CN14)c1ccccc%101)c1ccccc31
Systematic name  (3):
  • カラクリンV
  • (1S,9R,16S,18R,19R,20S,21S,29R,36S,38R,39R,40S)-10,30-ジオキサ-8,15,28,35-テトラアザトリデカシクロ[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]テトラテトラコンタ-2,4,6,12,22,24,26,32-オクタエン
  • (1S,9R,16S,18R,19R,20S,21S,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene
Other name (1):
  • Caracurine V
CAS registry number: 630-87-5
KEGG COMPOUND: C09100
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