(5aR,8R)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-[(2R,3R,4R,5R,6R)-6-methyl-4,5-bis(oxidanyl)-3-[(2S,3R,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Systemtic Name: (5aR,8R)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-9-[(2R,3R,4R,5R,6R)-6-methyl-4,5-bis(oxidanyl)-3-[(2S,3R,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Openeye Name: (5aR,8R)-9-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-8-(hydroxymethyl)-1-isopropenyl-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid CAS Name: (5aR,8R)-9-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid IUPAC Name: (5aR,8R)-9-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Traditional Name: (5aR,8R)-9-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-isopropenyl-5a,5b,8,11a-tetramethyl-8-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Formula: C41H66O12 MolecularWeight: 750.95554

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)CO)C)C)C(=O)O)C(=C)C)C)OC7C(C(C(CO7)O)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2CCC3(C([C@]2(C)CO)CCC4(C3CCC5[C@]4(CCC6(C5C(CC6)C(=C)C)C(=O)O)C)C)C)O[C@H]7[C@@H]([C@@H]([C@@H](CO7)O)O)O)O)O

InChI

InChI=1S/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(31(46)29(44)21(3)51-35)53-34-32(47)30(45)24(43)18-50-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/t21-,22?,23?,24-,25?,26?,27?,28?,29+,30-,31-,32-,33-,34+,35+,37?,38+,39-,40?,41?/m1/s1