Chem
J-GLOBAL ID:200907086235623244
Nikkaji number:J2.370.623G
1,19-Dioxo-2-ethyl-3,13,18-trimethyl-17-vinyl-21,7-ethano-1,19,21,24-tetrahydro-22H-biline-8,12-dipropionic acid
1,19-ジオキソ-2-エチル-3,13,18-トリメチル-17-ビニル-21,7-エタノ-1,19,21,24-テトラヒドロ-22H-ビリン-8,12-ジプロピオン酸
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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:
C34 H36 N4 O6
Molecular formula furigana:
C34-H36-N4-O6
Molecular weight:
596.684
InChI:
InChI=1S/C34H36N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h6,14-16,36H,1,7-13H2,2-5H3,(H,37,43)(H,39,40)(H,41,42)
InChI key:
UDNBUMPSPYGZFG-UHFFFAOYSA-N
SMILES:
CCC1=C(C)C2=Cc3[nH]c(C=C4N=C(C=C5NC(=O)C(=C5C=C)C)C(=C4CCC(=O)O)C)c(CCC(=O)O)c3CCN2C1=O
Systematic name (1):
1,19-ジオキソ-2-エチル-3,13,18-トリメチル-17-ビニル-21,7-エタノ-1,19,21,24-テトラヒドロ-22H-ビリン-8,12-ジプロピオン酸
Other name (1):
1,19-Dioxo-2-ethyl-3,13,18-trimethyl-17-vinyl-21,7-ethano-1,19,21,24-tetrahydro-22H-biline-8,12-dipropionic acid
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