Chem
J-GLOBAL ID:200907013269900347
Nikkaji number:J86.660A
AD-32
AD-32
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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 F3 NO13
Molecular formula furigana:
C34-H36-F3-N-O13
Molecular weight:
723.651
InChI:
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
InChI key:
ZOCKGBMQLCSHFP-KQRAQHLDSA-N
SMILES:
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
Systematic name (4):
(8S,10S)-8-(バレリルオキシメチルカルボニル)-10-[(3-トリフルオロアセチルアミノ-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシル)オキシ]-7,8,9,10-テトラヒドロ-6,8,11-トリヒドロキシ-1-メトキシ-5,12-ナフタセンジオン
ペンタン酸2-オキソ-2-[(8S)-1-メトキシ-5,12-ジオキソ-6,8α,11-トリヒドロキシ-10α-[[3-[(トリフルオロアセチル)アミノ]-2,3,6-トリデオキシ-α-L-lyxo-ヘキソピラノシル]オキシ]-5,7,8,9,10,12-ヘキサヒドロナフタセン-8-イル]エチル
2-オキソ-2-[(2S,4S)-2,5,12-トリヒドロキシ-4-{[(2R,4S,5S,6S)-5-ヒドロキシ-6-メチル-4-(2,2,2-トリフルオロアセトアミド)オキサン-2-イル]オキシ}-7-メトキシ-6,11-ジオキソ-1,2,3,4,6,11-ヘキサヒドロテトラセン-2-イル]エチル ペンタノアート
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(2,2,2-trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
Other name (10):
NSC-246131
AD-32
トリフルオロアセチルアドリアマイシン14-バレラート
Trifluoroacetyladriamycin-14-valerate
Antibiotic AD-32
抗生物質AD-32
(8S,10S)-8-(Valeryloxymethylcarbonyl)-10-[(3-trifluoroacetylamino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
Pentanoic acid 2-oxo-2-[(8S)-1-methoxy-5,12-dioxo-6,8α,11-trihydroxy-10α-[[3-[(trifluoroacetyl)amino]-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-5,7,8,9,10,12-hexahydronaphthacene-8-yl]ethyl ester
バルルビシン
Valrubicin
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CAS registry number:
56124-62-0
Regulation number (1):
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