CAS | 873001-54-8 |
Structure | |
Synonyms | 3,29-O-Dibenzoylmultiflor-8-en-3-alpha,7beta,29-triol |
IUPAC Name | [(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-benzoyloxy-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-2-yl]methyl benzoate |
Molecular Weight | 666.94 |
Molecular Formula | C44H58O5 |
Canonical SMILES | C[C@]12CC[C@@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)[C@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C6=CC=CC=C6)C)O)C)(C)COC(=O)C7=CC=CC=C7 |
InChI | InChI=1S/C44H58O5/c1-39(2)33-26-32(45)36-31(42(33,5)20-19-35(39)49-38(47)30-16-12-9-13-17-30)18-21-43(6)34-27-40(3,22-23-41(34,4)24-25-44(36,43)7)28-48-37(46)29-14-10-8-11-15-29/h8-17,32-35,45H,18-28H2,1-7H3/t32-,33-,34+,35+,40+,41+,42+,43-,44+/m0/s1 |
InChI Key | ZRKGVMOZKMBTHF-DUVCPVCPSA-N |
Melting Point | 162-164 °C |
Purity | 98% |
Density | 1.16 g/ml |
Appearance | Powder |
Our products and services are for research use only.