Chem
J-GLOBAL ID：202007019071758525
Nikkaji number：J3.749.306F
(2R,3S)-2,3-ビス(アセチルオキシ)-3-[(1R,14S,16R,17S)-17-(アセチルオキシ)-6,6-ジクロロ-3,13-ジオキソ-14-(フェニルスルファニル)-4,12,15-トリオキサ-2-アザビシクロ[12.2.2]オクタデカン-16-イル]プロピルアセタート
(2R,3S)-2,3-ビス(アセチルオキシ)-3-[(1R,14S,16R,17S)-17-(アセチルオキシ)-6,6-ジクロロ-3,13-ジオキソ-14-(フェニルスルファニル)-4,12,15-トリオキサ-2-アザビシクロ[12.2.2]オクタデカン-16-イル]プロピルアセタート
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： C31H39Cl2NO13S
Molecular formula furigana： C31-H39-CL2-N-O13-S
Molecular weight： 736.610
InChI：
InChI=1S/C31H39Cl2NO13S/c1-18(35)42-16-24(45-20(3)37)26(46-21(4)38)27-25-23(44-19(2)36)15-31(47-27,48-22-11-7-5-8-12-22)28(39)41-14-10-6-9-13-30(32,33)17-43-29(40)34-25/h5,7-8,11-12,23-27H,6,9-10,13-17H2,1-4H3,(H,34,40)/t23-,24+,25+,26+,27+,31-/m0/s1
InChI key：
LUALUCXJKYOXQZ-FHVRCOOPSA-N
SMILES：
O1C(=O)N[C@@H]2[C@H](C[C@@](Sc3ccccc3)(O[C@H]2[C@H](OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)C(=O)OCCCCCC(C1)(Cl)Cl)OC(=O)C
Systematic name (2)：
- (2R,3S)-2,3-ビス(アセチルオキシ)-3-[(1R,14S,16R,17S)-17-(アセチルオキシ)-6,6-ジクロロ-3,13-ジオキソ-14-(フェニルスルファニル)-4,12,15-トリオキサ-2-アザビシクロ[12.2.2]オクタデカン-16-イル]プロピルアセタート
- (2R,3S)-2,3-bis(acetyloxy)-3-[(1R,14S,16R,17S)-17-(acetyloxy)-6,6-dichloro-3,13-dioxo-14-(phenylsulfanyl)-4,12,15-trioxa-2-azabicyclo[12.2.2]octadecan-16-yl]propyl acetate
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