Daturataturin A Aglycone
Request a quote| Catalog Number | ACM904665710 |
| Product Name | Daturataturin A Aglycone |
| CAS Number | 904665-71-0 |
| IUPAC Name | (2R)-2-[(1S)-1-[(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one |
| Molecular Weight | 454.6 |
| Molecular Formula | C28H38O5 |
| Canonical SMILES | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C(C=C5C4(C(=O)C=CC5)C)O)C)CO |
| Inchi | InChI=1S/C28H38O5/c1-15-12-23(33-26(32)18(15)14-29)16(2)19-8-9-20-25-21(10-11-27(19,20)3)28(4)17(13-22(25)30)6-5-7-24(28)31/h5,7,13,16,19-23,25,29-30H,6,8-12,14H2,1-4H3/t16-,19+,20-,21-,22+,23+,25-,27+,28-/m0/s1 |
| InChIKey | UKCDPEQADUKCDH-NQNHUYFBSA-N |
| Purity | 98% |
| Appearance | Powder |
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