(3S,4S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6a,6b,8a,11,11,14b-heptamethyl-5,8,10-tris(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,10S,12aS,14aR,14bR)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6a,6b,8a,11,11,14b-heptamethyl-5,8,10-tris(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,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3-[(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,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3-[[(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,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3-[(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,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-3-[(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: C36H58O10 MolecularWeight: 650.83972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CCC4C5(CCC(C(C5C(CC4(C3(CC(C2(CC1O)C)O)C)C)O)(C)C=O)OC6C(C(C(C(O6)CO)O)O)O)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([C@H](C5)O)(C)C)C)O)C)C)O)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C36H58O10/c1-31(2)12-19-18-8-9-22-32(3)11-10-25(46-30-28(44)27(43)26(42)21(16-37)45-30)34(5,17-38)29(32)20(39)13-36(22,7)35(18,6)15-24(41)33(19,4)14-23(31)40/h8,17,19-30,37,39-44H,9-16H2,1-7H3/t19-,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30-,32+,33-,34+,35+,36+/m0/s1