(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-methyl-oxane-3,4,5-triol

Systemtic Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-methyl-oxane-3,4,5-triol Openeye Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-methyloxane-3,4,5-triol IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol Traditional Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol Formula: C42H70O11 MolecularWeight: 750.9986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)C)C)C)CO)C(=C)C)C)O)O)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@]6([C@@]5(CC[C@H]4C3(C)C)C)C)CO)C(=C)C)C)O)O)O)O)O)O

InChI

InChI=1S/C42H70O11/c1-21(2)23-11-16-42(20-43)18-17-40(7)24(29(23)42)9-10-27-39(6)14-13-28(38(4,5)26(39)12-15-41(27,40)8)53-37-35(49)33(47)31(45)25(52-37)19-50-36-34(48)32(46)30(44)22(3)51-36/h22-37,43-49H,1,9-20H2,2-8H3/t22-,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,39+,40-,41-,42-/m1/s1