Chem
J-GLOBAL ID:200907049287834763   Nikkaji number:J2.148.297H

19-Hydroxy-10-deacetylbaccatin III

19-ヒドロキシ-10-デアセチルバッカチンIII
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: C29H34O11
Molecular formula furigana: C29-H34-O11
Molecular weight: 558.580
InChI: InChI=1S/C29H34O11/c1-14-17(32)11-29(37)24(39-25(36)16-8-6-5-7-9-16)22-27(12-30,23(35)21(34)20(14)26(29,3)4)18(33)10-19-28(22,13-38-19)40-15(2)31/h5-9,18-19,21-22,24,30,33-34,37H,10-13H2,1-4H3/t18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
InChI key: HALOPRXVBVZSAC-RIFKXWPOSA-N
SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(CO)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)CC(=O)C(=C([C@@H](O)C1=O)C2(C)C)C
Systematic name  (3):
  • 2α-(ベンゾイルオキシ)-4-アセトキシ-5β,20-エポキシ-1,7β,10β,19-テトラヒドロキシタキサ-11-エン-9,13-ジオン
  • (1S,2S,3R,4S,7R,9S,10R,12R)-4-(アセチルオキシ)-1,9,12-トリヒドロキシ-10-(ヒドロキシメチル)-14,17,17-トリメチル-11,15-ジオキソ-6-オキサテトラシクロ[11.3.1.03,10.04,7]ヘプタデカ-13-エン-2-イル ベンゾアート
  • (1S,2S,3R,4S,7R,9S,10R,12R)-4-(acetyloxy)-1,9,12-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
Other name (3):
  • 2α-(Benzoyloxy)-4-acetoxy-5β,20-epoxy-1,7β,10β,19-tetrahydroxytaxa-11-ene-9,13-dione
  • 19-ヒドロキシ-10-デアセチルバッカチンIII
  • 19-Hydroxy-10-deacetylbaccatin III
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