Chem
J-GLOBAL ID:200907030704948952
Nikkaji number:J1.344.462E
Caracurine V
カラクリンV
Download MOL file
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:
C38 H40 N4 O2
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):
CAS registry number:
630-87-5
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