Chem
J-GLOBAL ID：200907099659584189
Nikkaji number：J2.182.121G
2α,5α,7β,10β,14β-Pentaacetoxytaxa-4(20),11-diene-9α-ol
2α,5α,7β,10β,14β-ペンタアセトキシタキサ-4(20),11-ジエン-9α-オール
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
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
Molecular formula： C30H42O11
Molecular formula furigana： C30-H42-O11
Molecular weight： 578.655
InChI：
InChI=1S/C30H42O11/c1-13-11-21(38-16(4)32)25-26(40-18(6)34)24-14(2)20(37-15(3)31)12-22(39-17(5)33)30(24,10)28(36)27(41-19(7)35)23(13)29(25,8)9/h20-22,24-28,36H,2,11-12H2,1,3-10H3/t20-,21-,22-,24-,25-,26-,27+,28-,30+/m0/s1
InChI key：
MTBQTDXAAOFWGH-RMNKHNOTSA-N
SMILES：
CC(=O)O[C@H]1CC(=C2[C@@H](OC(=O)C)[C@H](O)[C@]3(C)[C@H](C[C@H](OC(=O)C)C(=C)[C@H]3[C@H](OC(=O)C)[C@H]1C2(C)C)OC(=O)C)C
Systematic name (3)：
- 2α,5α,7β,10β,14β-ペンタアセトキシタキサ-4(20),11-ジエン-9α-オール
- (1S,2S,3R,5S,7S,8R,9R,10R,14S)-2,5,7,10-テトラキス(アセチルオキシ)-9-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-14-イル アセタート
- (1S,2S,3R,5S,7S,8R,9R,10R,14S)-2,5,7,10-tetrakis(acetyloxy)-9-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl acetate
- 2α,5α,7β,10β,14β-Pentaacetoxytaxa-4(20),11-diene-9α-ol
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