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Catalog | BBC53963432 |
CAS | 53963-43-2 |
Structure | ![]() |
Synonyms | 3β,6α,12β-Trihydroxy-5α-dammar-24-en-20-yl β-D-glucopyranoside |
IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol |
Molecular Weight | 638.87 |
Molecular Formula | C36H62O9 |
Canonical SMILES | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C |
InChI | InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,35+,36-/m0/s1 |
InChI Key | XNGXWSFSJIQMNC-FIYORUNESA-N |
Boiling Point | 751.7±60.0 °C |
Melting Point | >165 °C (dec.) |
Flash Point | 409.1ºC |
Purity | 98% |
Density | 1.23±0.1 g/ml |
Appearance | White powder |
pKa | 12.94±0.70 |
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