CAS | 108340-60-9 |
Synonyms | (7beta)-7-Hydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid |
IUPAC Name | (6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid |
Molecular Weight | 514.65 |
Molecular Formula | C30H42O7 |
Canonical SMILES | C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C |
InChI | InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,28+,29-,30+/m1/s1 |
InChI Key | YTVGSCZIHGRVAV-IYAQLQCNSA-N |
Boiling Point | 688.3±55.0 °C |
Purity | 98% |
Density | 1.22±0.1 g/ml |
pKa | 4.77±0.23 |
Appearance | Powder |
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