(1S,5aR,5bR,7aR,9R,11aR,13aR)-9-azanyl-10-bromanyl-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Systemtic Name: (1S,5aR,5bR,7aR,9R,11aR,13aR)-9-azanyl-10-bromanyl-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Openeye Name: (1S,5aR,5bR,7aR,9R,11aR,13aR)-9-amino-10-bromo-1-isopropyl-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 CAS Name: (1S,5aR,5bR,7aR,9R,11aR,13aR)-9-amino-10-bromo-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid IUPAC Name: (1S,5aR,5bR,7aR,9R,11aR,13aR)-9-amino-10-bromo-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid Traditional Name: (1S,5aR,5bR,7aR,9R,11aR,13aR)-9-amino-10-bromo-1-isopropyl-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 Formula: C30H50BrNO2 MolecularWeight: 536.6275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)N)Br)C)C)C(=O)O

Isomeric SMILES

CC(C)[C@@H]1CCC2(C1[C@H]3CCC4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC([C@@H](C5(C)C)N)Br)C)C)C(=O)O

InChI

InChI=1S/C30H50BrNO2/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h17-24H,8-16,32H2,1-7H3,(H,33,34)/t18-,19+,20?,21-,22?,23?,24-,27-,28+,29+,30?/m0/s1