(1S,5aR,5bR,11aR)-9-azanyloxysulfonyloxy-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,11aR)-9-azanyloxysulfonyloxy-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,11aR)-9-aminooxysulfonyloxy-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,11aR)-9-aminooxysulfonyloxy-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,11aR)-9-aminooxysulfonyloxy-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,11aR)-9-aminooxysulfonyloxy-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: C30H51NO6S MolecularWeight: 553.79404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OS(=O)(=O)ON)C)C(=O)O

Isomeric SMILES

CC(C)[C@@H]1CCC2(C1C3CCC4[C@]5(CCC(C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OS(=O)(=O)ON)C)C(=O)O

InChI

InChI=1S/C30H51NO6S/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(36-38(34,35)37-31)26(3,4)21(27)11-14-29(22,28)7/h18-24H,8-17,31H2,1-7H3,(H,32,33)/t19-,20?,21?,22?,23?,24?,27-,28+,29+,30?/m0/s1