[5-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-5-(pent-4-enoylamino)-3,4-bis(phenylmethoxy)oxan-2-yl]methoxymethyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl hydrogen sulfate

Systemtic Name: [5-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-5-(pent-4-enoylamino)-3,4-bis(phenylmethoxy)oxan-2-yl]methoxymethyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl hydrogen sulfate Openeye Name: [5-[[(2R,3S,4R,5R,6S)-3,4-dibenzyloxy-6-hexadecoxy-5-(pent-4-enoylamino)tetrahydropyran-2-yl]methoxymethyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [5-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-5-(1-oxopent-4-enylamino)-3,4-bis(phenylmethoxy)-2-oxanyl]methoxymethyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl ester IUPAC Name: [5-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-5-(pent-4-enoylamino)-3,4-bis(phenylmethoxy)oxan-2-yl]methoxymethyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [5-[[(2R,3S,4R,5R,6S)-3,4-dibenzoxy-6-cetyloxy-5-(pent-4-enoylamino)tetrahydropyran-2-yl]methoxymethyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]methyl ester Formula: C54H79NO13S MolecularWeight: 982.26896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1C(C(C(C(O1)COCC2(COC(OC2)C3=CC=C(C=C3)OC)COS(=O)(=O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)CCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2(COC(OC2)C3=CC=C(C=C3)OC)COS(=O)(=O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)CCC=C

InChI

InChI=1S/C54H79NO13S/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-25-35-62-53-49(55-48(56)30-7-5-2)51(64-37-44-28-23-20-24-29-44)50(63-36-43-26-21-19-22-27-43)47(68-53)38-61-39-54(42-67-69(57,58)59)40-65-52(66-41-54)45-31-33-46(60-3)34-32-45/h5,19-24,26-29,31-34,47,49-53H,2,4,6-18,25,30,35-42H2,1,3H3,(H,55,56)(H,57,58,59)/t47-,49-,50-,51-,52?,53+,54?/m1/s1