$750.00
| CAS No.: | 2221029-54-3 |
| Molecular Formula | C₃₂H₅₀O₇ |
| Molecular Weight | 546.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Terpenoids |
| Weight |
|---|
IUPAC Name: [(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R,16S)-16-hydroperoxy-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
InChI: InChI=1S/C32H50O7/c1-17(14-21(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(35)28(3,4)23(30)10-13-31(26,8)32(19,9)16-22(25)39-36/h17,20-23,26-27,34,36H,10-16H2,1-9H3/t17-,20+,21+,22+,23+,26+,27-,30+,31+,32+/m1/s1
InChIKey: OPWQFBRURDPURF-XKFNBYHKSA-N
Canonical SMILES: CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2OO)C)C)(C)C)C)O
Isomeric SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C[C@@H]2OO)C)C)(C)C)C)O
Synonyms: 16BETA-HYDROPEROXYALISOL B 23-ACETATE; 2221029-54-3; DA-49121; E80622
Botanical Source:
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