Daturaolone
Request a quoteCatalog Number | ACM41498800 |
CAS | 41498-80-0 |
Structure | ![]() |
IUPAC Name | (4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one |
Molecular Weight | 440.71 |
Molecular Formula | C30H48O2 |
Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)C)C |
Inchi | InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21+,22+,24-,27+,28+,29+,30+/m0/s1 |
InChIKey | YCTXVPCDHZMBHX-QCDSSADQSA-N |
Purity | 98% |
Appearance | Powder |
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