| Synonyms |
2-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]spiro[3.3]hept-2-ene-6,6-dicarboxylic acid; 6-[28-Hydroxy-28-oxolupa-2,20(29)-dien-3-yl]spiro[3.3]hept-5-ene-2,2-dicarboxylic acid |
| IUPAC Name |
6-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-carboxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]spiro[3.3]hept-6-ene-2,2-dicarboxylic acid |
| Molecular Weight |
618.84 |
| Molecular Formula |
C39H54O6 |
| Canonical SMILES |
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC=C(C5(C)C)C6=CC7(C6)CC(C7)(C(=O)O)C(=O)O)C)C)C(=O)O |
| InChI |
InChI=1S/C39H54O6/c1-22(2)24-10-15-38(30(40)41)17-16-35(6)26(29(24)38)8-9-28-34(5)13-11-25(33(3,4)27(34)12-14-36(28,35)7)23-18-37(19-23)20-39(21-37,31(42)43)32(44)45/h11,18,24,26-29H,1,8-10,12-17,19-21H2,2-7H3,(H,40,41)(H,42,43)(H,44,45)/t24-,26+,27-,28+,29+,34-,35+,36+,38-/m0/s1 |
| InChIKey |
BJXRINPAPGTVSM-XRDOSIMNSA-N |
| Boiling Point |
736.6±60.0°C at 760 mmHg |
| Purity |
≥98% (HPLC) |
| Density |
1.2±0.1 g/cm3 |
| Solubility |
10 mM in DMSO |
| Appearance |
Solid powder |
| Storage |
Store at -20°C |
| Complexity |
1440 |
| Exact Mass |
618.39203944 |
| Target |
HIV |
| XLogP3-AA |
8.8 |
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