Chem
J-GLOBAL ID:200907017984458290   Nikkaji number:J2.669.319E

(4S)-1,4,7β-Trihydroxy-2α,20-[oxy(phenylhydroxymethylene)oxy]-5α-(acetoxymethyl)-9-oxo-10β-acetoxy-13α-[[(2R,3R)-2-hydroxy-3-(tert-butyloxycarbonylamino)-5-methylhexanoyl]oxy]-6-nortaxane-11-ene

(4S)-1,4,7β-トリヒドロキシ-2α,20-[オキシ(フェニルヒドロキシメチレン)オキシ]-5α-(アセトキシメチル)-9-オキソ-10β-アセトキシ-13α-[[(2R,3R)-2-ヒドロキシ-3-(tert-ブチルオキシカルボニルアミノ)-5-メチルヘキサノイル]オキシ]-6-ノルタキサン-11-エン
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: C43H61NO16
Molecular formula furigana: C43-H61-N-O16
Molecular weight: 847.952
InChI: InChI=1S/C43H61NO16/c1-21(2)17-27(44-37(51)60-38(6,7)8)30(47)36(50)58-28-18-42(53)35-32-40(11,34(49)31(57-24(5)46)29(22(28)3)39(42,9)10)33(48)26(19-55-23(4)45)41(32,52)20-56-43(54,59-35)25-15-13-12-14-16-25/h12-16,21,26-28,30-33,35,47-48,52-54H,17-20H2,1-11H3,(H,44,51)/t26-,27+,28-,30+,31+,32-,33-,35-,40-,41+,42+,43?/m0/s1
InChI key: RYNLKHZKIOIRJY-BOVUTYAASA-N
SMILES: CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@H]3OC(O)(OC[C@@]4(O)[C@@H](COC(=O)C)[C@H](O)[C@](C)([C@H]34)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)c1ccccc1
Systematic name  (3):
  • (4S)-1,4,7β-トリヒドロキシ-2α,20-[オキシ(フェニルヒドロキシメチレン)オキシ]-5α-(アセトキシメチル)-9-オキソ-10β-アセトキシ-13α-[[(2R,3R)-2-ヒドロキシ-3-(tert-ブチルオキシカルボニルアミノ)-5-メチルヘキサノイル]オキシ]-6-ノルタキサン-11-エン
  • (1S,2S,4S,7R,9S,10S,11S,12S,17R)-7-(アセチルオキシ)-11-[(アセチルオキシ)メチル]-2,10,12,15-テトラヒドロキシ-5,9,18,18-テトラメチル-8-オキソ-15-フェニル-14,16-ジオキサテトラシクロ[7.7.1.12,6.012,17]オクタデカ-5-エン-4-イル (2R,3R)-3-{[(tert-ブトキシ)カルボニル]アミノ}-2-ヒドロキシ-5-メチルヘキサノアート
  • (1S,2S,4S,7R,9S,10S,11S,12S,17R)-7-(acetyloxy)-11-[(acetyloxy)methyl]-2,10,12,15-tetrahydroxy-5,9,18,18-tetramethyl-8-oxo-15-phenyl-14,16-dioxatetracyclo[7.7.1.12,6.012,17]octadec-5-en-4-yl (2R,3R)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoate
Other name (1):
  • (4S)-1,4,7β-Trihydroxy-2α,20-[oxy(phenylhydroxymethylene)oxy]-5α-(acetoxymethyl)-9-oxo-10β-acetoxy-13α-[[(2R,3R)-2-hydroxy-3-(tert-butyloxycarbonylamino)-5-methylhexanoyl]oxy]-6-nortaxane-11-ene
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