
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1617-70-5 |
| Catalog No. | 2A-9067026 |
| Synonyms | LUPENONE; (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one; ZINC04081760; Lup-20(29)-en-3-one (8CI)(9CI); NSC 281807 |
| Molecular Formula | C30H48O |
| Molecular Weight | 424.716 |
| MDL Number | MFCD03935405 |
| SMILES | CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |
| InChI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1 |
| InChI Key | InChIKey=GRBHNQFQFHLCHO-BHMAJAPKSA-N |
| MSDS | msds/67026_1_1617_70_5.pdf |
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