$130.00
| CAS No.: | 51776-39-7 |
| Molecular Formula | C₃₀H₄₆O₇ |
| Molecular Weight | 518.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
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IUPAC Name: (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
InChI: InChI=1S/C30H46O7/c1-25(23(34)35)10-12-30(24(36)37)13-11-28(4)17(18(30)14-25)6-7-21-26(2)15-19(32)22(33)27(3,16-31)20(26)8-9-29(21,28)5/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,25-,26-,27-,28+,29+,30-/m0/s1
InChIKey: OWODMVTTWPVWQA-COFJZONBSA-N
Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)O
Isomeric SMILES: C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)O
Synonyms: Jaligonic acid; 51776-39-7; (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid; Jagilonic acid; NSC-249338; NSC 249338; SCHEMBL5800055; 52356C7BGV; …
Botanical Source:
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