(3S,4S,4aR,5R,6aR,6bS,8S,8aS,12aS,14aR,14bR)-3,8-bis[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-5-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde

Systemtic Name: (3S,4S,4aR,5R,6aR,6bS,8S,8aS,12aS,14aR,14bR)-3,8-bis[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-4,6a,6b,8a,11,11,14b-heptamethyl-5-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde Openeye Name: (3S,4S,4aR,5R,6aR,6bS,8S,8aS,12aS,14aR,14bR)-5-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3,8-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde CAS Name: (3S,4S,4aR,5R,6aR,6bS,8S,8aS,12aS,14aR,14bR)-5-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3,8-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxaldehyde IUPAC Name: (3S,4S,4aR,5R,6aR,6bS,8S,8aS,12aS,14aR,14bR)-5-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3,8-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde Traditional Name: (3S,4S,4aR,5R,6aR,6bS,8S,8aS,12aS,14aR,14bR)-5-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3,8-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde Formula: C42H68O14 MolecularWeight: 796.98092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5C(CC4(C3(CC2OC6C(C(C(C(O6)CO)O)O)O)C)C)O)(C)C=O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C

Isomeric SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1[C@@H](C[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)(C)C=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

InChI

InChI=1S/C42H68O14/c1-37(2)12-13-38(3)21(14-37)20-8-9-25-39(4)11-10-26(55-35-32(51)30(49)28(47)23(17-43)53-35)40(5,19-45)34(39)22(46)15-42(25,7)41(20,6)16-27(38)56-36-33(52)31(50)29(48)24(18-44)54-36/h8,19,21-36,43-44,46-52H,9-18H2,1-7H3/t21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33+,34+,35-,36-,38-,39+,40+,41+,42+/m0/s1