1. Primary Information
| English name: | Liquiridiolic acid |
| CAS No.: | 20528-70-5 |
| Molecular formula: | C30H48O5 |
| Molecular weight: | 488.7 g/mol |
| SMILES: | CC12CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C1CC(C(C2)O)(C)C(=O)O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96.5% | 5200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,3R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
4.2 InChI
InChI=1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,25-,26-,27-,28+,29+,30+/m0/s1
4.3 InChIKey
ZXWLSOQCDSAYHO-RBGQDQRBSA-N
4.4 Canonical SMILES
CC12CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C1CC(C(C2)O)(C)C(=O)O)C
4.5 Isomeric SMILES
C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1C[C@]([C@@H](C2)O)(C)C(=O)O)C
