Chem
J-GLOBAL ID:201207028151676941   Nikkaji number:J3.059.199B

Siladenoserinol B

シラデノセリノールB
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: C42H76N[N+]NaO16[O-]PS
Molecular formula furigana: C42-H76-N2-NA-O17-P-S
Molecular weight: 967.090
InChI: InChI=1S/C42H77N2O17PS.Na/c1-34(45)54-32-37(33-56-62(48,49)55-29-27-44(3,4)5)59-40(47)23-19-15-13-14-18-22-39-41-38(58-35(2)46)24-26-42(60-39,61-41)25-20-16-11-9-7-6-8-10-12-17-21-28-53-30-36(43)31-57-63(50,51)52;/h19,23,36-39,41H,6-18,20-22,24-33,43H2,1-5H3,(H-,48,49,50,51,52);/q;+1/p-1/b23-19+;/t36?,37-,38-,39-,41+,42+;/m1./s1
InChI key: VUVYEAMYGZETOQ-MUBCCLPMSA-M
SMILES: CC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCOCC(N)COS(=O)(=O)O[Na])CC[C@@H](OC(=O)C)[C@@H]1O2
Systematic name  (3):
  • [O-[1-O-アセチル-2-O-[(2E,9R,10R,11R,14S)-11-アセトキシ-9,14:10,14-ジエポキシ-30-アミノ-31-(ソジオオキシスルホニルオキシ)-28-オキサ-1-オキソヘントリアコンタン-2-エン-1-イル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • (2-{[(2R)-3-(アセチルオキシ)-2-{[(2E)-8-[(1R,2R,5S,7R)-2-(アセチルオキシ)-5-[13-(2-アミノ-3-{[(ソジオオキシ)スルホニル]オキシ}プロポキシ)トリデシル]-6,8-ジオキサビシクロ[3.2.1]オクタン-7-イル]オクタ-2-エノイル]オキシ}プロピル ホスホナト]オキシ}エチル)トリメチルアザニウム
  • (2-{[(2R)-3-(acetyloxy)-2-{[(2E)-8-[(1R,2R,5S,7R)-2-(acetyloxy)-5-[13-(2-amino-3-{[(sodiooxy)sulfonyl]oxy}propoxy)tridecyl]-6,8-dioxabicyclo[3.2.1]octan-7-yl]oct-2-enoyl]oxy}propyl phosphonato]oxy}ethyl)trimethylazanium
Other name (3):
  • シラデノセリノールB
  • Siladenoserinol B
  • [O-[1-O-Acetyl-2-O-[(2E,9R,10R,11R,14S)-11-acetoxy-9,14:10,14-diepoxy-30-amino-31-(sodiooxysulfonyloxy)-28-oxa-1-oxohentriacontane-2-ene-1-yl]-L-glycero-3-phospho]choline]anion
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