(1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-azanylethanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Systemtic Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-azanylethanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Openeye Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-aminoacetyl)oxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid CAS Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-amino-1-oxoethoxy)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid IUPAC Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-aminoacetyl)oxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Traditional Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-glycyloxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Formula: C32H51NO5 MolecularWeight: 529.75104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)OC(=O)CN)C)C)C2C1C)C)C(=O)O

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@H]([C@@H](C5(C)C)O)OC(=O)CN)C)C)C2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C32H51NO5/c1-18-10-13-32(27(36)37)15-14-30(6)20(25(32)19(18)2)8-9-23-29(5)16-21(38-24(34)17-33)26(35)28(3,4)22(29)11-12-31(23,30)7/h8,18-19,21-23,25-26,35H,9-17,33H2,1-7H3,(H,36,37)/t18-,19+,21-,22?,23?,25?,26+,29+,30-,31-,32+/m1/s1