Chem
J-GLOBAL ID：201507008461218235
Nikkaji number：J3.334.233K
1-O,3-O-Bis[1,3-bis[2-(α-D-mannopyranosyloxy)ethoxy]propane-2-yl]-2-O-undecylglycerol
1-O,3-O-ビス[1,3-ビス[2-(α-D-マンノピラノシルオキシ)エトキシ]プロパン-2-イル]-2-O-ウンデシルグリセロール
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： C52H98O31
Molecular formula furigana： C52-H98-O31
Molecular weight： 1219.325
InChI：
InChI=1S/C52H98O31/c1-2-3-4-5-6-7-8-9-10-11-73-32(28-78-30(24-69-12-16-74-49-45(65)41(61)37(57)33(20-53)80-49)25-70-13-17-75-50-46(66)42(62)38(58)34(21-54)81-50)29-79-31(26-71-14-18-76-51-47(67)43(63)39(59)35(22-55)82-51)27-72-15-19-77-52-48(68)44(64)40(60)36(23-56)83-52/h30-68H,2-29H2,1H3/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+/m1/s1
InChI key：
KWBXVYXZZVUANL-QOJHISCVSA-N
SMILES：
CCCCCCCCCCCOC(COC(COCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)COCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)COC(COCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)COCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name (3)：
- 1-O,3-O-ビス[1,3-ビス[2-(α-D-マンノピラノシルオキシ)エトキシ]プロパン-2-イル]-2-O-ウンデシルグリセロール
- (2R,3S,4S,5S,6S)-2-(ヒドロキシメチル)-6-[(15-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-5,11-ビス[(2-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}エトキシ)メチル]-8-(ウンデシルオキシ)-3,6,10,13-テトラオキサペンタデカン-1-イル)オキシ]オキサン-3,4,5-トリオール
- (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(15-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,11-bis[(2-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethoxy)methyl]-8-(undecyloxy)-3,6,10,13-tetraoxapentadecan-1-yl)oxy]oxane-3,4,5-triol
- 1-O,3-O-Bis[1,3-bis[2-(α-D-mannopyranosyloxy)ethoxy]propane-2-yl]-2-O-undecylglycerol
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