1. Primary Information
| English name: | 11alpha,12alpha-EPOXY-3beta,23-DIHYDROXY-30-NOROLEAN-20(29)-EN-28,13beta-OLIDE |
| CAS No.: | 186140-36-3 |
| Molecular formula: | C29H42O5 |
| Molecular weight: | 470.6 g/mol |
| SMILES: | CC12CCC(C(C1CCC3(C2C4C(O4)C56C3(CCC7(C5CC(=C)CC7)C(=O)O6)C)C)(C)CO)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥96% | 4640 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-hydroxy-10-(hydroxymethyl)-6,10,14,15-tetramethyl-21-methylidene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one
4.2 InChI
InChI=1S/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m1/s1
4.3 InChIKey
WYALGIWVJKDMAS-FJHCYMANSA-N
4.4 Canonical SMILES
CC12CCC(C(C1CCC3(C2C4C(O4)C56C3(CCC7(C5CC(=C)CC7)C(=O)O6)C)C)(C)CO)O
4.5 Isomeric SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7([C@H]5CC(=C)CC7)C(=O)O6)C)C)(C)CO)O
