Chem
J-GLOBAL ID:200907077594827670   Nikkaji number:J702.560B

2-Deacetyltaxin B

2-デアセチルタキシンB
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: C26H36O9
Molecular formula furigana: C26-H36-O9
Molecular weight: 492.565
InChI: InChI=1S/C26H36O9/c1-12-20(33-13(2)27)9-17-19(31)8-16-11-26(7,21(10-18(16)30)34-14(3)28)24(32)23(35-15(4)29)22(12)25(17,5)6/h8,17-21,23,30-31H,9-11H2,1-7H3/t17-,18+,19-,20+,21+,23-,26+/m1/s1
InChI key: JJNZROKUXHWIPI-QWYFBPJYSA-N
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@H](O)C=C3C[C@@](C)([C@H](C[C@@H]3O)OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C
Systematic name  (3):
  • (1S,2R,5S,7S,8S,10R,13S)-7,10,13-トリ(アセトキシ)-2,5-ジヒドロキシ-8,12,15,15-テトラメチルトリシクロ[9.3.1.14,8]ヘキサデカ-3,11-ジエン-9-オン
  • (3R,4S,6S,9R,11S,12S,14S)-9,12-ビス(アセチルオキシ)-3,14-ジヒドロキシ-7,11,16,16-テトラメチル-10-オキソトリシクロ[9.3.1.14,8]ヘキサデカ-1,7-ジエン-6-イル アセタート
  • (3R,4S,6S,9R,11S,12S,14S)-9,12-bis(acetyloxy)-3,14-dihydroxy-7,11,16,16-tetramethyl-10-oxotricyclo[9.3.1.14,8]hexadeca-1,7-dien-6-yl acetate
Other name (3):
  • 2-デアセチルタキシンB
  • 2-Deacetyltaxin B
  • (1S,2R,5S,7S,8S,10R,13S)-7,10,13-Tri(acetoxy)-2,5-dihydroxy-8,12,15,15-tetramethyltricyclo[9.3.1.14,8]hexadeca-3,11-dien-9-one
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