Chem
J-GLOBAL ID：200907086059053002   Nikkaji number：J1.787.682A

(2S,38S)-2,38-Bis[(3-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxymethyl]-7,15,19,22,26,34,43,51,55,58,62,70-dodecamethyl-11,14:27,30:47,50:63,66-tetramethano-1,4,37,40-tetraoxacyclodoheptacontane

(2S,38S)-2,38-ビス[(3-O-β-D-グルコピラノシル-β-D-ガラクトピラノシル)オキシメチル]-7,15,19,22,26,34,43,51,55,58,62,70-ドデカメチル-11,14:27,30:47,50:63,66-テトラメタノ-1,4,37,40-テトラオキサシクロドヘプタコンタン
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： C110H204O26
Molecular formula furigana： C110-H204-O26
Molecular weight： 1942.816
InChI： InChI=1S/C110H204O26/c1-69-21-13-29-77(9)85-45-41-81(57-85)33-17-25-73(5)49-53-125-65-89(67-129-107-103(123)105(97(117)93(63-113)131-107)135-109-101(121)99(119)95(115)91(61-111)133-109)128-56-52-76(8)28-20-36-84-44-48-88(60-84)80(12)32-16-24-72(4)40-38-70(2)22-14-30-78(10)86-46-42-82(58-86)34-18-26-74(6)50-54-126-66-90(127-55-51-75(7)27-19-35-83-43-47-87(59-83)79(11)31-15-23-71(3)39-37-69)68-130-108-104(124)106(98(118)94(64-114)132-108)136-110-102(122)100(120)96(116)92(62-112)134-110/h69-124H,13-68H2,1-12H3/t69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91-,92-,93-,94-,95-,96-,97+,98+,99+,100+,101-,102-,103-,104-,105+,106+,107-,108-,109+,110+/m1/s1
InChI key： JLIDGFXTISZXLX-ZRDOPETESA-N
SMILES： CC1CCCC2CCC(C2)C(C)CCCC(C)CCC(C)CCCC(C)C2CCC(C2)CCCC(C)CCO[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)COCCC(C)CCCC2CCC(C2)C(C)CCCC(C)CCC(C)CCCC(C)C2CCC(C2)CCCC(C)CCO[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)COCC1
Systematic name  (3)：
  • (2S,38S)-2,38-ビス[(3-O-β-D-グルコピラノシル-β-D-ガラクトピラノシル)オキシメチル]-7,15,19,22,26,34,43,51,55,58,62,70-ドデカメチル-11,14:27,30:47,50:63,66-テトラメタノ-1,4,37,40-テトラオキサシクロドヘプタコンタン
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(25S,61S)-61-({[(2R,3R,4S,5S,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(2S,3R,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}オキサン-2-イル]オキシ}メチル)-2,6,9,13,21,30,38,42,45,49,57,66-ドデカメチル-24,27,60,63-テトラオキサペンタシクロ[68.2.1.114,17.134,37.150,53]ヘキサヘプタコンタン-25-イル]メトキシ}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(25S,61S)-61-({[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-2,6,9,13,21,30,38,42,45,49,57,66-dodecamethyl-24,27,60,63-tetraoxapentacyclo[68.2.1.114,17.134,37.150,53]hexaheptacontan-25-yl]methoxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (2S,38S)-2,38-Bis[(3-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxymethyl]-7,15,19,22,26,34,43,51,55,58,62,70-dodecamethyl-11,14:27,30:47,50:63,66-tetramethano-1,4,37,40-tetraoxacyclodoheptacontane
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