3-[(1S,2S,4aS,4bS,7R,8aS,10aR)-2,4b-dimethyl-2-oxidanyl-7-prop-2-enoyloxy-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]propanoic acid

Systemtic Name: 3-[(1S,2S,4aS,4bS,7R,8aS,10aR)-2,4b-dimethyl-2-oxidanyl-7-prop-2-enoyloxy-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]propanoic acid Openeye Name: 3-[(1S,2S,4aS,4bS,7R,8aS,10aR)-2-hydroxy-2,4b-dimethyl-7-prop-2-enoyloxy-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]propanoic acid CAS Name: 3-[(1S,2S,4aS,4bS,7R,8aS,10aR)-2-hydroxy-2,4b-dimethyl-7-(1-oxoprop-2-enoxy)-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]propanoic acid IUPAC Name: 3-[(1S,2S,4aS,4bS,7R,8aS,10aR)-2-hydroxy-2,4b-dimethyl-7-prop-2-enoyloxy-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]propanoic acid Traditional Name: 3-[(1S,2S,4aS,4bS,7R,8aS,10aR)-7-acryloyloxy-2-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]propionic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC(C3CCC(=O)O)(C)O)OC(=O)C=C

Isomeric SMILES

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]([C@H]3CCC(=O)O)(C)O)OC(=O)C=C

InChI

InChI=1S/C22H34O5/c1-4-20(25)27-15-9-11-21(2)14(13-15)5-6-16-17(21)10-12-22(3,26)18(16)7-8-19(23)24/h4,14-18,26H,1,5-13H2,2-3H3,(H,23,24)/t14-,15+,16+,17-,18-,21-,22-/m0/s1