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

Systemtic Name: (3R,4S,5S,6R)-2-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-4,6a,6b,8a,11,11,14b-heptamethyl-3,9-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (3R,4S,5S,6R)-2-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (3R,4S,5S,6R)-2-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (3R,4S,5S,6R)-2-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (3R,4S,5S,6R)-2-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C36H60O8 MolecularWeight: 620.8568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)COC6C(C(C(C(O6)CO)O)O)O)O)C)C

Isomeric SMILES

C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)COC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)C1CC(C[C@H]2O)(C)C)C

InChI

InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3/t21?,22-,23?,24?,25+,26-,27-,28+,29-,30?,32-,33+,34-,35-,36-/m1/s1