1. Primary Information
| English name: | 3alpha-Cinnamoyloxypterokaurene L3 |
| CAS No.: | 79406-13-6 |
| Molecular formula: | C29H36O5 |
| Molecular weight: | 464.6 g/mol |
| SMILES: | CC12CCC(C(C1CCC34C2(CCC(C3)C(=C)C4)O)(C)C(=O)O)OC(=O)C=CC5=CC=CC=C5 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 5200 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S,4S,5S,6R,9R,10S,13S)-10-hydroxy-5,9-dimethyl-14-methylidene-6-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
4.2 InChI
InChI=1S/C29H36O5/c1-19-17-28-15-12-22-26(2,29(28,33)16-11-21(19)18-28)14-13-23(27(22,3)25(31)32)34-24(30)10-9-20-7-5-4-6-8-20/h4-10,21-23,33H,1,11-18H2,2-3H3,(H,31,32)/b10-9+/t21-,22-,23+,26+,27-,28+,29+/m0/s1
4.3 InChIKey
JZOCBKSMVFBSKG-OQOIVFRYSA-N
4.4 Canonical SMILES
CC12CCC(C(C1CCC34C2(CCC(C3)C(=C)C4)O)(C)C(=O)O)OC(=O)C=CC5=CC=CC=C5
4.5 Isomeric SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@]34[C@]2(CC[C@@H](C3)C(=C)C4)O)(C)C(=O)O)OC(=O)/C=C/C5=CC=CC=C5
