(2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4S,5S,6S)-4,5-diacetyloxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4S,5S,6S)-4,5-diacetyloxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4S,5S,6S)-4,5-diacetoxy-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[[(2S,3R,4S,5S,6S)-4,5-diacetyloxy-3-hydroxy-6-methyl-2-oxanyl]oxy]-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-3-hydroxy-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4S,5S,6S)-4,5-diacetyloxy-3-hydroxy-6-methyloxan-2-yl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[[(3S,6aR,6bS,7S,8R,8aR,9S,10R,14bR)-10-[(2S,3R,4S,5S,6S)-4,5-diacetoxy-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid Formula: C62H96O28 MolecularWeight: 1289.40884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1C(C(CC2C1(C(C(C3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)O)CO)(C)C)OC9C(C(C(C(O9)C)OC(=O)C)OC(=O)C)O

Isomeric SMILES

C/C=C(/C)\C(=O)O[C@@H]1[C@@H](C(CC2[C@]1([C@H]([C@H]([C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@@H]7[C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)C)C)C)O)O)CO)(C)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)OC(=O)C)OC(=O)C)O

InChI

InChI=1S/C62H96O28/c1-13-24(2)52(79)89-50-49(90-55-41(74)44(82-27(5)67)42(25(3)80-55)81-26(4)66)57(6,7)20-29-28-14-15-33-59(10)18-17-34(58(8,9)32(59)16-19-60(33,11)61(28,12)47(75)48(76)62(29,50)23-65)85-56-46(88-54-39(72)37(70)35(68)30(21-63)83-54)43(40(73)45(87-56)51(77)78)86-53-38(71)36(69)31(22-64)84-53/h13-14,25,29-50,53-56,63-65,68-76H,15-23H2,1-12H3,(H,77,78)/b24-13-/t25-,29?,30+,31+,32?,33?,34-,35-,36+,37-,38-,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,50+,53+,54-,55-,56-,59-,60+,61-,62-/m0/s1