[(1S)-1-[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-1-oxidanyl-propan-2-yl] 2-pentylheptanoate

Systemtic Name: [(1S)-1-[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-oxidanylidene-furan-2-yl]-1-oxidanyl-propan-2-yl] 2-pentylheptanoate Openeye Name: [(2S)-2-hydroxy-2-[5-hydroxy-3-oxo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-furyl]-1-methyl-ethyl] 2-pentylheptanoate CAS Name: 2-pentylheptanoic acid [(1S)-1-hydroxy-1-[5-hydroxy-3-oxo-4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-furanyl]propan-2-yl] ester IUPAC Name: [(1S)-1-hydroxy-1-[5-hydroxy-3-oxo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]propan-2-yl] 2-pentylheptanoate Traditional Name: 2-amylenanthic acid [(2S)-2-hydroxy-2-[5-hydroxy-3-keto-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-furyl]-1-methyl-ethyl] ester Formula: C25H42O12 MolecularWeight: 534.59378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)C(=O)OC(C)C(C1C(=O)C(=C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O

Isomeric SMILES

CCCCCC(CCCCC)C(=O)OC(C)[C@@H](C1C(=O)C(=C(O1)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C25H42O12/c1-4-6-8-10-14(11-9-7-5-2)23(32)34-13(3)16(27)21-20(31)22(24(33)36-21)37-25-19(30)18(29)17(28)15(12-26)35-25/h13-19,21,25-30,33H,4-12H2,1-3H3/t13?,15-,16+,17-,18+,19-,21?,25?/m1/s1