[(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-10-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate

Systemtic Name: [(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-10-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate Openeye Name: [(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate CAS Name: (E)-2-methyl-2-butenoic acid [(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] ester IUPAC Name: [(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (E)-2-methylbut-2-enoate Traditional Name: (E)-2-methylbut-2-enoic acid [(4S,4aR,5S,6aS,6bR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4a-methylol-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] ester Formula: C52H84O19 MolecularWeight: 1013.21196

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OC1CC(CC2C1(C(CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)O)O)O)C)C)C)O)CO)(C)C

Isomeric SMILES

C/C=C(\C)/C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@H](C[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)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)O)O)O)C)C)C)O)CO)(C)C

InChI

InChI=1S/C52H84O19/c1-10-24(2)43(64)70-34-19-47(3,4)17-26-25-11-12-31-49(7)15-14-33(48(5,6)30(49)13-16-50(31,8)51(25,9)18-32(55)52(26,34)23-53)71-46-42(63)39(60)37(58)29(69-46)22-67-45-41(62)38(59)36(57)28(68-45)21-66-44-40(61)35(56)27(54)20-65-44/h10-11,26-42,44-46,53-63H,12-23H2,1-9H3/b24-10+/t26-,27+,28+,29+,30?,31?,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,44-,45+,46-,49-,50+,51+,52-/m0/s1