Chem
J-GLOBAL ID:201107041728917551
Nikkaji number:J2.962.484D
Grandilodine C
グランジロジンC
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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:
C21 H20 N2 O5
Molecular formula furigana:
C21-H20-N2-O5
Molecular weight:
380.400
InChI:
InChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14?,19-,20-,21-/m1/s1
InChI key:
STACHDUHGOCYFP-BJPDFRCHSA-N
SMILES:
COC(=O)N1c2ccccc2[C@]23CCN4C(=O)C=C[C@@]54CC[C@]12C(C5)C(=O)O3
Systematic name (3):
(1R,9R,16R)-13-オキソ-9,19-(オキシカルボニル)-2,12-ジアザペンタシクロ[14.2.2.01,9 .03,8 .012,16 ]イコサン-3,5,7,14-テトラエン-2-カルボン酸メチル
メチル (1R,9R,12R)-15,20-ジオキソ-19-オキサ-8,16-ジアザヘキサシクロ[8.8.2.29,12 .01,9 .02,7 .012,16 ]ドコサ-2,4,6,13-テトラエン-8-カルボキシラート
methyl (1R,9R,12R)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[8.8.2.29,12 .01,9 .02,7 .012,16 ]docosa-2,4,6,13-tetraene-8-carboxylate
Other name (5):
(1R,9R,16R)-13-Oxo-9,19-(oxycarbonyl)-2,12-diazapentacyclo[14.2.2.01,9 .03,8 .012,16 ]icosane-3,5,7,14-tetraene-2-carboxylic acid methyl ester
グランジロジンC
Grandilodine C
(+)-グランジロジンC
(+)-Grandilodine C
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