Chem
J-GLOBAL ID：200907096975651662
Nikkaji number：J2.182.126H
2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene-7β-ol
2α,5α,9α,10β,14β-ペンタアセトキシタキサ-4(20),11-ジエン-7β-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(39-17(5)33)24-14(2)20(37-15(3)31)12-22(36)30(24,10)28(41-19(7)35)27(40-18(6)34)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：
ARNVBZRAPMVPBC-RMNKHNOTSA-N
SMILES：
CC(=O)O[C@H]1CC(=C2[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]3(C)[C@@H](O)C[C@H](OC(=O)C)C(=C)[C@H]3[C@H](OC(=O)C)[C@H]1C2(C)C)C
Systematic name (3)：
- 2α,5α,9α,10β,14β-ペンタアセトキシタキサ-4(20),11-ジエン-7β-オール
- (1S,2S,3R,5S,7S,8S,9R,10R,14S)-2,5,9,10-テトラキス(アセチルオキシ)-7-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,8S,9R,10R,14S)-2,5,9,10-tetrakis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl acetate
- 2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene-7β-ol
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