11-azanylundecanoyl 9-acetyloxy-1-(3-acetyloxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

Systemtic Name: 11-azanylundecanoyl 9-acetyloxy-1-(3-acetyloxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Openeye Name: 11-aminoundecanoyl 9-acetoxy-1-[1-(acetoxymethyl)vinyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate CAS Name: 9-acetyloxy-1-(3-acetyloxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid (11-amino-1-oxoundecyl) ester IUPAC Name: 11-aminoundecanoyl 9-acetyloxy-1-(3-acetyloxyprop-1-en-2-yl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Traditional Name: 9-acetoxy-1-[1-(acetoxymethyl)vinyl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid 11-aminoundecanoyl ester Formula: C45H73NO7 MolecularWeight: 740.06362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC(=O)CCCCCCCCCCN

Isomeric SMILES

CC(=O)OCC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC(=O)CCCCCCCCCCN

InChI

InChI=1S/C45H73NO7/c1-30(29-51-31(2)47)33-20-25-45(40(50)53-38(49)17-15-13-11-9-10-12-14-16-28-46)27-26-43(7)34(39(33)45)18-19-36-42(6)23-22-37(52-32(3)48)41(4,5)35(42)21-24-44(36,43)8/h33-37,39H,1,9-29,46H2,2-8H3