[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sulfuric acid [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sulfuric acid [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C18H24O12S3 MolecularWeight: 528.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2OS(=O)(=O)O)OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)O)OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

InChI

InChI=1S/C18H24O12S3/c1-18-7-6-13-12-5-3-11(28-31(19,20)21)8-10(12)2-4-14(13)15(18)9-16(29-32(22,23)24)17(18)30-33(25,26)27/h3,5,8,13-17H,2,4,6-7,9H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27)/t13-,14-,15+,16-,17+,18+/m1/s1