[(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium

Systemtic Name: [(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium Openeye Name: [(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium CAS Name: [(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium IUPAC Name: [(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium Traditional Name: [(8S,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-yl] sulfate; pyridin-1-ium Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1C3CC(C4=C(C3CC2)C=CC(=C4)OC)OS(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

C[C@@]12CCC[C@H]1[C@@H]3CC(C4=C([C@H]3CC2)C=CC(=C4)OC)OS(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C19H26O5S.C5H5N/c1-19-8-3-4-17(19)15-11-18(24-25(20,21)22)16-10-12(23-2)5-6-13(16)14(15)7-9-19;1-2-4-6-5-3-1/h5-6,10,14-15,17-18H,3-4,7-9,11H2,1-2H3,(H,20,21,22);1-5H/t14-,15-,17+,18?,19+;/m1./s1