Chem
J-GLOBAL ID:200907024395863157   Nikkaji number:J1.598.541K

Taxa-4(20),11(12)-diene-5α,7β,9α,10β,13α,14β-hexol 7,9,10,13-tetraacetate

タキサ-4(20),11(12)-ジエン-5α,7β,9α,10β,13α,14β-ヘキサオール7,9,10,13-テトラアセタート
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: C28H40O10
Molecular formula furigana: C28-H40-O10
Molecular weight: 536.618
InChI: InChI=1S/C28H40O10/c1-12-18-10-19-23(34)24(36-15(4)30)13(2)22(27(19,7)8)25(37-16(5)31)26(38-17(6)32)28(18,9)21(11-20(12)33)35-14(3)29/h18-21,23-26,33-34H,1,10-11H2,2-9H3/t18-,19-,20+,21+,23-,24-,25-,26+,28+/m1/s1
InChI key: ILBYBXGBWPJEPC-NKJHJIPESA-N
SMILES: CC(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2C[C@@H]3[C@@H](O)[C@H](OC(=O)C)C(=C([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]12C)C3(C)C)C
Systematic name  (3):
  • タキサ-4(20),11(12)-ジエン-5α,7β,9α,10β,13α,14β-ヘキサオール7,9,10,13-テトラアセタート
  • (1S,3R,5S,7S,8S,9R,10R,13R,14R)-9,10,13-トリス(アセチルオキシ)-5,14-ジヒドロキシ-8,12,15,15-テトラメチル-4-メチリデントリシクロ[9.3.1.03,8]ペンタデカ-11-エン-7-イル アセタート
  • (1S,3R,5S,7S,8S,9R,10R,13R,14R)-9,10,13-tris(acetyloxy)-5,14-dihydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-7-yl acetate
Other name (1):
  • Taxa-4(20),11(12)-diene-5α,7β,9α,10β,13α,14β-hexol 7,9,10,13-tetraacetate
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