(2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-5,8,10-tris(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-5,8,10-tris(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2R,3R,4S,5S,6R)-2-[[(3S,4aR,5R,6aR,6bS,8S,8aS,10S,12aS,14aR,14bR)-5,8,10-trihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C36H60O9 MolecularWeight: 636.8562

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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)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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C36H60O9/c1-31(2)13-19-18-9-10-22-33(5)12-11-25(45-30-28(43)27(42)26(41)21(17-37)44-30)32(3,4)29(33)20(38)14-36(22,8)35(18,7)16-24(40)34(19,6)15-23(31)39/h9,19-30,37-43H,10-17H2,1-8H3/t19-,20+,21+,22+,23-,24-,25-,26+,27-,28+,29-,30-,33+,34-,35+,36+/m0/s1