(2R,4aS,6aS,6bR,9R,10S,12S,12aR,14bR)-9-[[(2R,3R,4S,5R,6R)-5-acetyloxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-2,4a,6a,6b,9,12a-hexamethyl-10,12-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid

Systemtic Name: (2R,4aS,6aS,6bR,9R,10S,12S,12aR,14bR)-9-[[(2R,3R,4S,5R,6R)-5-acetyloxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-2,4a,6a,6b,9,12a-hexamethyl-10,12-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid Openeye Name: (2R,4aS,6aS,6bR,9R,10S,12S,12aR,14bR)-9-[[(2R,3R,4S,5R,6R)-5-acetoxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-10,12-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid CAS Name: (2R,4aS,6aS,6bR,9R,10S,12S,12aR,14bR)-9-[[(2R,3R,4S,5R,6R)-5-acetyloxy-3,4-dihydroxy-6-methyl-2-oxanyl]oxymethyl]-10,12-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid IUPAC Name: (2R,4aS,6aS,6bR,9R,10S,12S,12aR,14bR)-9-[[(2R,3R,4S,5R,6R)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-10,12-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid Traditional Name: (2R,4aS,6aS,6bR,9R,10S,12S,12aR,14bR)-9-[[(2R,3R,4S,5R,6R)-5-acetoxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-10,12-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid Formula: C38H60O10 MolecularWeight: 676.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2(C3CCC4(C(C3(C(CC2O)O)C)CC=C5C4(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C)O)O)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@]2([C@H](C[C@@H]([C@]3(C2CC[C@@]4(C3CC=C5[C@]4(CC[C@@]6([C@H]5C[C@](CC6)(C)C(=O)O)C)C)C)C)O)O)C)O)O)OC(=O)C

InChI

InChI=1S/C38H60O10/c1-20-30(48-21(2)39)28(42)29(43)31(47-20)46-19-35(5)24-11-12-37(7)25(38(24,8)27(41)17-26(35)40)10-9-22-23-18-34(4,32(44)45)14-13-33(23,3)15-16-36(22,37)6/h9,20,23-31,40-43H,10-19H2,1-8H3,(H,44,45)/t20-,23+,24?,25?,26+,27+,28+,29-,30+,31-,33-,34-,35+,36-,37-,38+/m1/s1