Chem
J-GLOBAL ID:201307063510802068
Nikkaji number:J3.134.261I
Yoropyrazone
ヨロピラゾン
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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:
C27 H32 N4 O10
Molecular formula furigana:
C27-H32-N4-O10
Molecular weight:
572.571
InChI:
InChI=1S/C27H32N4O10/c1-10-6-15(26(38)39-3)24(36)27(40-10)21-14(7-12(41-27)8-18(34)29-9-17(33)11(2)32)22-19-13(23(21)35)4-5-16(28)20(19)25(37)31-30-22/h4-5,10-12,15,17,24,32-33,36H,6-9,28H2,1-3H3,(H,29,34)(H,31,37)/t10-,11?,12+,15-,17?,24-,27+/m0/s1
InChI key:
DSXWKGMVTFIOMW-YEGHISJLSA-N
SMILES:
COC(=O)[C@H]1C[C@H](C)O[C@]2(O[C@@H](CC(=O)NCC(O)C(C)O)Cc3c2c(=O)c2ccc(N)c4c2c3n[nH]c4=O)[C@H]1O
Systematic name (3):
(8R,10R)-4-アミノ-3′,4′,5′,6′,10,11-ヘキサヒドロ-3′β-ヒドロキシ-10-[2-(2,3-ジヒドロキシブチルアミノ)-2-オキソエチル]-4′β-(メトキシカルボニル)-6′α-メチルスピロ[9-オキサ-1,2-ジアザ-9H-ベンゾ[de]アントラセン-8(7H),2′-[2H]ピラン]-3,7(2H)-ジオン
メチル (2R,3S,4S,4'R,6S)-12'-アミノ-4'-{[(2,3-ジヒドロキシブチル)カルバモイル]メチル}-3-ヒドロキシ-6-メチル-8',14'-ジオキソ-5'-オキサ-15',16'-ジアザスピロ[オキサン-2,6'-テトラシクロ[7.7.1.02,7 .013,17 ]ヘプタデカン]-1'(16'),2'(7'),9'(17'),10',12'-ペンタエン-4-カルボキシラート
methyl (2R,3S,4S,4'R,6S)-12'-amino-4'-{[(2,3-dihydroxybutyl)carbamoyl]methyl}-3-hydroxy-6-methyl-8',14'-dioxo-5'-oxa-15',16'-diazaspiro[oxane-2,6'-tetracyclo[7.7.1.02,7 .013,17 ]heptadecane]-1'(16'),2'(7'),9'(17'),10',12'-pentaene-4-carboxylate
Other name (3):
(8R,10R)-4-Amino-3′,4′,5′,6′,10,11-hexahydro-3′β-hydroxy-10-[2-(2,3-dihydroxybutylamino)-2-oxoethyl]-4′β-(methoxycarbonyl)-6′α-methylspiro[9-oxa-1,2-diaza-9H-benzo[de]anthracene-8(7H),2′-[2H]pyran]-3,7(2H)-dione
ヨロピラゾン
Yoropyrazone
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