methyl (2S,4R,4aR,6aR,6aS,6bR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate

Systemtic Name: methyl (2S,4R,4aR,6aR,6aS,6bR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate Openeye Name: methyl (2S,4R,4aR,6aR,6aS,6bR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate CAS Name: (2S,4R,4aR,6aR,6aS,6bR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,4R,4aR,6aR,6aS,6bR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate Traditional Name: (2S,4R,4aR,6aR,6aS,6bR,9S,10S,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,12a-hexamethyl-9-methylol-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid methyl ester Formula: C37H60O9 MolecularWeight: 648.8669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CC(CC3C2(CCC4(C3=CCC5C4(CCC6C5(CCC(C6(C)CO)O)C)C)C)C)(C)C(=O)OC)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@@](C[C@@H]3[C@]2(CC[C@@]4(C3=CC[C@H]5[C@]4(CCC6[C@@]5(CC[C@@H]([C@]6(C)CO)O)C)C)C)C)(C)C(=O)OC)O)O)O

InChI

InChI=1S/C37H60O9/c1-20-27(40)28(41)29(42)30(45-20)46-26-18-32(2,31(43)44-8)17-22-21-9-10-24-34(4)13-12-25(39)35(5,19-38)23(34)11-14-37(24,7)36(21,6)16-15-33(22,26)3/h9,20,22-30,38-42H,10-19H2,1-8H3/t20-,22-,23?,24+,25-,26+,27-,28+,29+,30-,32-,33+,34-,35+,36+,37+/m0/s1