Home > Product Catalog > All > benzoic acid [(2S,3aR,5S,6S,6aR)-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-4-benzoyloxy-5-[(1R)-1-benzoyloxy-2-(triphenylmethyl)oxyethyl]-2-oxolanyl]oxy]-1-benzoyloxyethyl]-4-benzoyloxy-2-oxolanyl]oxy]-1-benzoyloxyethyl]-2-cyano-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester

benzoic acid [(2S,3aR,5S,6S,6aR)-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-4-benzoyloxy-5-[(1R)-1-benzoyloxy-2-(triphenylmethyl)oxyethyl]-2-oxolanyl]oxy]-1-benzoyloxyethyl]-4-benzoyloxy-2-oxolanyl]oxy]-1-benzoyloxyethyl]-2-cyano-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester

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Catalog No. : NC22667

CAS No. : 128596-82-7

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Molecular Formula : C₈₆H₇₅NO₂₄

Chemical Name : benzoic acid [(2S,3aR,5S,6S,6aR)-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-4-benzoyloxy-5-[(1R)-1-benzoyloxy-2-(triphenylmethyl)oxyethyl]-2-oxolanyl]oxy]-1-benzoyloxyethyl]-4-benzoyloxy-2-oxolanyl]oxy]-1-benzoyloxyethyl]-2-cyano-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester

Molecular Weight : 1,506.51

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Basic information

Standard English name
Cas No.	128596-82-7
Alias	benzoic acid [(2S,3aR,5S,6S,6aR)-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-5-[(1R)-2-[[(2R,3R,4S,5S)-3-acetyloxy-4-benzoyloxy-5-[(1R)-1-benzoyloxy-2-(triphenylmethyl)oxyethyl]-2-oxolanyl]oxy]-1-benzoyloxyethyl]-4-benzoyloxy-2-oxolanyl]oxy]-1-benzoyloxyethyl]-2-cyano-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester
Canonical Smiles	CC1(C#N)OC2OC(C(OC(=O)C3C=CC=CC=3)C2O1)C(COC1OC(C(OC(=O)C2C=CC=CC=2)C1OC(C)=O)C(COC1OC(C(OC(=O)C2C=CC=CC=2)C1OC(C)=O)C(COC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1
MDL No.
Exact Mass	1,505.46791
Smiles	N#CC1(OC2OC(C(OC(=O)C=3C=CC=CC3)COC4OC(C(OC(=O)C=5C=CC=CC5)COC6OC(C(OC(=O)C=7C=CC=CC7)COC(C=8C=CC=CC8)(C=9C=CC=CC9)C=%10C=CC=CC%10)C(OC(=O)C=%11C=CC=CC%11)C6OC(=O)C)C(OC(=O)C=%12C=CC=CC%12)C4OC(=O)C)C(OC(=O)C=%13C=CC=CC%13)C2O1)C

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Inchi	InChI=1S/C86H75NO24/c1-53(88)99-73-70(104-79(93)58-37-19-7-20-38-58)67(107-82(73)97-50-65(102-77(91)56-33-15-5-16-34-56)68-72(106-81(95)60-41-23-9-24-42-60)75-84(109-68)111-85(3,52-87)110-75)64(101-76(90)55-31-13-4-14-32-55)49-96-83-74(100-54(2)89)71(105-80(94)59-39-21-8-22-40-59)69(108-83)66(103-78(92)57-35-17-6-18-36-57)51-98-86(61-43-25-10-26-44-61,62-45-27-11-28-46-62)63-47-29-12-30-48-63/h4-48,64-75,82-84H,49-51H2,1-3H3
InchiKey	LLNHUQDDDAMWIF-UHFFFAOYSA-N
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