1. Primary Information
| English name: | Lycojaponicuminol C |
| CAS No.: | 1651839-34-7 |
| Molecular formula: | C29H48O4 |
| Molecular weight: | 460.7 g/mol |
| SMILES: | CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C4(CCC(C(C4CCC(=O)O3)(C)C)O)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥97.5% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1R,5aS,7S,9aS)-1-[2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-7-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[c]oxepin-3-one
4.2 InChI
InChI=1S/C29H48O4/c1-18-8-10-20-26(2,3)22(30)14-16-28(20,6)19(18)9-12-24-29(7)17-15-23(31)27(4,5)21(29)11-13-25(32)33-24/h19-24,30-31H,1,8-17H2,2-7H3/t19-,20-,21-,22-,23-,24+,28+,29-/m0/s1
4.3 InChIKey
GDRHALBYFBDMDN-JSFVAYFGSA-N
4.4 Canonical SMILES
CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C4(CCC(C(C4CCC(=O)O3)(C)C)O)C)C
4.5 Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CCC(=C)[C@@H]2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CCC(=O)O3)(C)C)O)C)(C)C)O
