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Catalog | BBC98665168 |
CAS | 98665-16-8 |
Synonyms | (5alpha,12beta)-12-(Acetyloxy)-4,4,14-trimethyl-3,7,11,15-tetraoxo-chol-8-en-24-oic acid |
IUPAC Name | (4R)-4-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
Molecular Weight | 514.61 |
Molecular Formula | C29H38O8 |
Canonical SMILES | C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C |
InChI | InChI=1S/C29H38O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18,25H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,25-,27+,28+,29+/m1/s1 |
InChI Key | LTJSBYAKDOGXLX-JTJCPSTFSA-N |
Purity | 98% |
Appearance | Powder |
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