Molecule Identification Common Name {2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2-yl]propoxy}sulfonic acid Definition Based on a literature review very few articles have been published on {2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2-yl]propoxy}sulfonic acid. Structure CC(COS(O)(=O)=O)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1 InChI=1S/C20H32O5S/c1-14(12-25-26(22,23)24)15-5-7-17-16(11-15)6-8-18-19(2,13-21)9-4-10-20(17,18)3/h6,11,14,17-18,21H,4-5,7-10,12-13H2,1-3H3,(H,22,23,24) Synonyms Value Source {2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2-yl]propoxy}sulfonate Generator {2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2-yl]propoxy}sulphonate Generator {2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2-yl]propoxy}sulphonic acid Generator
Chemical Formula C20 H32 O5 S Average Molecular Weight 384.53 Monoisotopic Molecular Weight 384.197045304 IUPAC Name {2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,4b,5,6,7,8,8a,9-decahydrophenanthren-2-yl]propoxy}sulfonic acid Traditional Name 2-[8-(hydroxymethyl)-4b,8-dimethyl-3,4,4a,5,6,7,8a,9-octahydrophenanthren-2-yl]propoxysulfonic acid CAS Registry Number Not Available SMILES CC(COS(O)(=O)=O)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1
InChI Identifier InChI=1S/C20H32O5S/c1-14(12-25-26(22,23)24)15-5-7-17-16(11-15)6-8-18-19(2,13-21)9-4-10-20(17,18)3/h6,11,14,17-18,21H,4-5,7-10,12-13H2,1-3H3,(H,22,23,24)
InChI Key XZHLXGOTWXMPTH-UHFFFAOYSA-N 
