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| CAS No.: | 1260-04-4 |
| Molecular Formula | C₂₉H₄₄O₆ |
| Molecular Weight | 488.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Tetraterpenoids; Triterpenoids |
IUPAC Name: (2S,3R,4S,4aR,6aR,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid
InChI: InChI=1S/C29H44O6/c1-25(2)12-13-29(24(34)35)11-8-17-16(18(29)14-25)6-7-20-26(17,3)10-9-21-27(20,4)15-19(30)22(31)28(21,5)23(32)33/h18-22,30-31H,6-15H2,1-5H3,(H,32,33)(H,34,35)/t18-,19-,20-,21+,22-,26-,27+,28-,29+/m0/s1
InChIKey: VZRKWGPIZJDNHC-LUNVCWBOSA-N
Canonical SMILES: CC1(CCC2(CCC3=C(C2C1)CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C(=O)O)C
Isomeric SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CCC4=C2CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C
Synonyms: 1260-04-4; Senegenic acid; UNII-XCC6WEA55L; XCC6WEA55L; (2S,3R,4S,4AR,6AR,8AS,12AS,14AR,14BR)-2,3-DIHYDROXY-4,6A,11,11,14B-PENTAMETHYL-2,3,4A,5,6,7,8,9,10,12,12A,13,14,14A-TETRADECAHYDRO-1H-PICENE-4,8A-DICARBOXYLIC ACID; 27-Norolean-13-ene-23,28-dioic acid, 2beta,3beta-dihydroxy-; 27-Norolean-13-ene-23,28-dioic acid, 2,3-dihydroxy-, (2beta,3beta,4alpha)-; CHEBI:183950; …
Botanical Source: Polygalae radix
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