Chem
J-GLOBAL ID:201007054047488560   Nikkaji number:J2.777.713I

10-Deacetyl-2-debenzoylbaccatin III

10-デアセチル-2-デベンゾイルバッカチン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: C22H32O9
Molecular formula furigana: C22-H32-O9
Molecular weight: 440.489
InChI: InChI=1S/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3/t11-,12-,13+,15+,16-,18-,20+,21-,22+/m0/s1
InChI key: LHXBWTCSJBQSGI-QOBCYHTASA-N
SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](O)[C@]2(O)C[C@H](O)C(=C([C@@H](O)C1=O)C2(C)C)C
Systematic name  (3):
  • (1S)-5β,20-エポキシ-9-オキソタキサ-11-エン-1,2α,4,7β,10β,13α-ヘキサオール4-アセタート
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-1,2,9,12,15-ペンタヒドロキシ-10,14,17,17-テトラメチル-11-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-4-イル アセタート
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-1,2,9,12,15-pentahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-yl acetate
Other name (3):
  • (1S)-5β,20-Epoxy-9-oxotaxa-11-ene-1,2α,4,7β,10β,13α-hexaol 4-acetate
  • 10-Deacetyl-2-debenzoylbaccatin III
  • 10-デアセチル-2-デベンゾイルバッカチンIII
KEGG COMPOUND: C11899
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