(2R)-2-[(2S,3S,4S,5S,6S)-6-[[(1R,2R,3R,5S,6R,7R,9S)-3-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-4-(cyclohexylmethoxy)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-2-oxidanyl-oxan-2-yl]-2-oxidanyl-ethanoic acid; sodium

Systemtic Name: (2R)-2-[(2S,3S,4S,5S,6S)-6-[[(1R,2R,3R,5S,6R,7R,9S)-3-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-4-(cyclohexylmethoxy)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyl-2-oxidanyl-oxan-2-yl]-2-oxidanyl-ethanoic acid; sodium Openeye Name: (2R)-2-[(2S,3S,4S,5S,6S)-6-[[(1R,2R,3R,5S,6R,7R,9S)-3-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-4-(cyclohexylmethoxy)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyl-tetrahydropyran-2-yl]-2-hydroxy-acetic acid; sodium CAS Name: (2R)-2-[(2S,3S,4S,5S,6S)-6-[[(1R,2R,3R,5S,6R,7R,9S)-3-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-4-(cyclohexylmethoxy)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-2-oxolanyl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyl-2-oxanyl]-2-hydroxyacetic acid; sodium IUPAC Name: (2R)-2-[(2S,3S,4S,5S,6S)-6-[[(1R,2R,3R,5S,6R,7R,9S)-3-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-4-(cyclohexylmethoxy)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-2-hydroxyacetic acid; sodium Traditional Name: (2R)-2-[(2S,3S,4S,5S,6S)-6-[[(1R,2R,3R,5S,6R,7R,9S)-3-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-4-(cyclohexylmethoxy)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyl-tetrahydropyran-2-yl]-2-hydroxy-acetic acid; sodium Formula: C48H82NaO16 MolecularWeight: 938.14485

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C(C1OCC2CCCCC2)C)(C)O)C3CCC(O3)C4CCC(O4)C5(C(C(C6(O5)C(C(CC(O6)CC7C(C(C(C(O7)(C(C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C.[Na]

Isomeric SMILES

C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1OCC2CCCCC2)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H]([C@@]6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@H](C(=O)O)O)O)C)OC)(C)OC)OC)C)C)OC)C.[Na]

InChI

InChI=1S/C48H82O16.Na/c1-25-38(58-24-30-16-14-13-15-17-30)27(3)46(8,52)63-39(25)34-19-18-32(59-34)33-20-21-36(60-33)45(7)42(56-11)29(5)48(64-45)26(2)35(54-9)22-31(61-48)23-37-44(6,57-12)41(55-10)28(4)47(53,62-37)40(49)43(50)51;/h25-42,49,52-53H,13-24H2,1-12H3,(H,50,51);/t25-,26+,27+,28-,29+,31-,32+,33-,34+,35+,36+,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48-;/m0./s1