(1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-azanylpropanoyloxy)-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 hydrochloride

Systemtic Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-azanylpropanoyloxy)-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 hydrochloride Openeye Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-aminopropanoyloxy)-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 hydrochloride CAS Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-amino-1-oxopropoxy)-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 hydrochloride IUPAC Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-(2-aminopropanoyloxy)-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 hydrochloride Traditional Name: (1S,2R,4aS,6aS,6bR,10R,11R,12aR)-11-alanyloxy-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 hydrochloride Formula: C33H54ClNO5 MolecularWeight: 580.23856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)OC(=O)C(C)N)C)C)C2C1C)C)C(=O)O.Cl

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)C(C)N)C)C)C2[C@H]1C)C)C(=O)O.Cl

InChI

InChI=1S/C33H53NO5.ClH/c1-18-11-14-33(28(37)38)16-15-31(7)21(25(33)19(18)2)9-10-24-30(6)17-22(39-27(36)20(3)34)26(35)29(4,5)23(30)12-13-32(24,31)8;/h9,18-20,22-26,35H,10-17,34H2,1-8H3,(H,37,38);1H/t18-,19+,20?,22-,23?,24?,25?,26+,30+,31-,32-,33+;/m1./s1