| 2D Structure | |
| CID | 21579640 |
| IUPAC Name | (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione |
| InChI | InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-12,18-22,25-28,30,37-38,41-43,45-46H,10,13-16H2,1-8H3/b12-11+/t18-,19-,20+,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1 |
| InChI Key | GOWXUGYRPHOTEQ-QYNXQQORSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H54O12 |
| Molecular Weight | 678.8 |
| synonyms | ['arvenin III', '65597-45-7', '19-Norlanosta-5,23-diene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)-', 'CHEMBL538201', 'MEGxp0_000823', 'orb1992172', 'SCHEMBL31605542', 'DTXSID201107003', 'AKOS040734579', 'FS-8409', 'NCGC00385061-01', 'NS00094078', '(2I(2),9I(2),10I+/-,16I+/-,23E)-2-(I(2)-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione', 'NCGC00385061-01_C36H54O12_Estr-5-ene-3,11-dione, 17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(beta-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2beta,9beta,10alpha,16alpha,17beta)-'] |
From Pubchem