(4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethyl-4-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: (4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethyl-4-oxidanyl-cyclohex-2-en-1-one Openeye Name: (4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: (4S)-4-[(E,3R)-3-[[(2R,3R,4S,5S,6R)-3-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]but-1-enyl]-4-hydroxy-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: (4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: (4S)-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C24H38O12 MolecularWeight: 518.55132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O)O)(C)C

Isomeric SMILES

CC1=CC(=O)CC([C@]1(/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)(C)C

InChI

InChI=1S/C24H38O12/c1-12-7-14(27)8-22(3,4)24(12,32)6-5-13(2)34-20-18(17(29)16(28)15(9-25)35-20)36-21-19(30)23(31,10-26)11-33-21/h5-7,13,15-21,25-26,28-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20-,21+,23-,24-/m1/s1