Chem
J-GLOBAL ID：200907095049313315
Nikkaji number：J1.734.086G
Acetic acid [2-oxo-3β-(acetylamino)-4β-acetoxy-5β-[(S)-1-acetoxy-10-oxo-2-hexadecenyl]tetrahydrofuran-3α-yl]methyl ester
酢酸[2-オキソ-3β-(アセチルアミノ)-4β-アセトキシ-5β-[(S)-1-アセトキシ-10-オキソ-2-ヘキサデセニル]テトラヒドロフラン-3α-イル]メチル
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： C29H45NO10
Molecular formula furigana： C29-H45-N-O10
Molecular weight： 567.676
InChI：
InChI=1S/C29H45NO10/c1-6-7-8-13-16-24(35)17-14-11-9-10-12-15-18-25(38-22(4)33)26-27(39-23(5)34)29(28(36)40-26,30-20(2)31)19-37-21(3)32/h15,18,25-27H,6-14,16-17,19H2,1-5H3,(H,30,31)/t25-,26+,27-,29-/m0/s1
InChI key：
VYKRNDRRGARTRC-UMNYJUJISA-N
SMILES：
CCCCCCC(=O)CCCCCCC=C[C@H](OC(=O)C)[C@H]1OC(=O)[C@@](COC(=O)C)(NC(=O)C)[C@H]1OC(=O)C
Systematic name (3)：
- 酢酸[2-オキソ-3β-(アセチルアミノ)-4β-アセトキシ-5β-[(S)-1-アセトキシ-10-オキソ-2-ヘキサデセニル]テトラヒドロフラン-3α-イル]メチル
- (1S)-1-[(2R,3R,4S)-3-(アセチルオキシ)-4-[(アセチルオキシ)メチル]-4-アセトアミド-5-オキソオキソラン-2-イル]-10-オキソヘキサデカ-2-エン-1-イル アセタート
- (1S)-1-[(2R,3R,4S)-3-(acetyloxy)-4-[(acetyloxy)methyl]-4-acetamido-5-oxooxolan-2-yl]-10-oxohexadec-2-en-1-yl acetate
- Acetic acid [2-oxo-3β-(acetylamino)-4β-acetoxy-5β-[(S)-1-acetoxy-10-oxo-2-hexadecenyl]tetrahydrofuran-3α-yl]methyl ester
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