3-[(2S)-2-[(1R,2R,3R,4R,6R)-6-[(E)-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-3,5-dimethyl-5-[(2R,5S)-5-[(1R)-1-oxidanylpropyl]oxolan-2-yl]oxolan-2-yl]but-2-en-2-yl]-5-methyl-oxan-2-yl]-3-oxidanyl-prop-1-enyl]-2-(hydroxymethyl)-4-methyl-3-oxidanyl-cyclohexyl]-2-methoxy-ethanoyl]-5-methylidene-oxolane-2,4-dione; sodium

Systemtic Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-6-[(E)-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-3,5-dimethyl-5-[(2R,5S)-5-[(1R)-1-oxidanylpropyl]oxolan-2-yl]oxolan-2-yl]but-2-en-2-yl]-5-methyl-oxan-2-yl]-3-oxidanyl-prop-1-enyl]-2-(hydroxymethyl)-4-methyl-3-oxidanyl-cyclohexyl]-2-methoxy-ethanoyl]-5-methylidene-oxolane-2,4-dione; sodium Openeye Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-3-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-1-methyl-prop-1-enyl]-5-methyl-tetrahydropyran-2-yl]prop-1-enyl]-2-(hydroxymethyl)-4-methyl-cyclohexyl]-2-methoxy-acetyl]-5-methylene-tetrahydrofuran-2,4-dione; sodium CAS Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]-2-oxolanyl]-3,5-dimethyl-2-oxolanyl]but-2-en-2-yl]-5-methyl-2-oxanyl]prop-1-enyl]-2-(hydroxymethyl)-4-methylcyclohexyl]-2-methoxy-1-oxoethyl]-5-methyleneoxolane-2,4-dione; sodium IUPAC Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-4-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]oxolan-2-yl]-3,5-dimethyloxolan-2-yl]but-2-en-2-yl]-5-methyloxan-2-yl]prop-1-enyl]-2-(hydroxymethyl)-4-methylcyclohexyl]-2-methoxyacetyl]-5-methylideneoxolane-2,4-dione; sodium Traditional Name: 3-[(2S)-2-[(1R,2R,3R,4R,6R)-3-hydroxy-6-[(E)-3-hydroxy-2-[(2R,5S,6S)-6-[(E)-3-[(2S,3R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxypropyl]tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-1-methyl-prop-1-enyl]-5-methyl-tetrahydropyran-2-yl]prop-1-enyl]-4-methyl-2-methylol-cyclohexyl]-2-methoxy-acetyl]-5-methylene-tetrahydrofuran-2,4-quinone; sodium Formula: C42H64NaO12 MolecularWeight: 783.94013

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC(O1)C2(CC(C(O2)CC=C(C)C3C(CCC(O3)C(=CC4CC(C(C(C4C(C(=O)C5C(=O)C(=C)OC5=O)OC)CO)O)C)CO)C)C)C)O.[Na]

Isomeric SMILES

CC[C@H]([C@@H]1CC[C@@H](O1)[C@@]2(C[C@H]([C@@H](O2)C/C=C(\C)/[C@@H]3[C@H](CC[C@@H](O3)/C(=C/[C@H]4C[C@H]([C@H]([C@H]([C@@H]4[C@@H](C(=O)C5C(=O)C(=C)OC5=O)OC)CO)O)C)/CO)C)C)C)O.[Na]

InChI

InChI=1S/C42H64O12.Na/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49;/h10,17,22-24,26,28-36,39-40,43-46H,6,9,11-16,18-20H2,1-5,7-8H3;/b21-10+,27-17+;/t22-,23+,24+,26+,28-,29+,30-,31+,32-,33+,34+,35?,36+,39+,40-,42-;/m0./s1