Chem
J-GLOBAL ID：201907000912948843   Nikkaji number：J3.737.441E

(2S,3R,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid

(2S,3R,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-ヒドロキシ-4,4,6a,6b,8a,11,11,14b-オクタメチル-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-テトラデカヒドロピセン-3-イル]オキシ}-6-カルボキシ-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-カルボン酸
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： C48H76O18
Molecular formula furigana： C48-H76-O18
Molecular weight： 941.118
InChI： InChI=1S/C48H76O18/c1-20-27(50)28(51)33(56)40(61-20)65-37-32(55)30(53)35(39(59)60)64-42(37)66-36-31(54)29(52)34(38(57)58)63-41(36)62-26-13-14-46(7)23(44(26,4)5)12-15-48(9)24(46)11-10-21-22-18-43(2,3)19-25(49)45(22,6)16-17-47(21,48)8/h10,20,22-37,40-42,49-56H,11-19H2,1-9H3,(H,57,58)(H,59,60)/t20-,22-,23-,24+,25+,26-,27-,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,40-,41+,42-,45+,46-,47+,48+/m0/s1
InChI key： VVWSVSOPOPDXMM-QAZVOZLDSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)C2(C)C)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (2)：
  • (2S,3R,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-ヒドロキシ-4,4,6a,6b,8a,11,11,14b-オクタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-6-カルボキシ-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3R,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (2)：
  • (2S,3R,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-ヒドロキシ-4,4,6a,6b,8a,11,11,14b-オクタメチル-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-テトラデカヒドロピセン-3-イル]オキシ}-6-カルボキシ-4,5-ジヒドロキシオキサン-3-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3R,4S,5R,6R)-6-{[(2R,3R,4S,5S,6S)-2-{[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid
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