1. Primary Information
| English name: | (1S,4R,5R,8R,9S,12R,13R,16R,19R)-19-methoxy-8-[(2S,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol |
| CAS No.: | 1616120-83-2 |
| Molecular formula: | C32H52O4 |
| Molecular weight: | 500.8 g/mol |
| SMILES: | CC(CC(C=C(C)C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 6560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S,4R,5R,8R,9S,12R,13R,16R,19R)-19-methoxy-8-[(2S,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
4.2 InChI
InChI=1S/C32H52O4/c1-20(2)18-22(34-8)19-21(3)23-12-14-30(7)24-13-15-32-25(10-11-26(33)28(32,4)5)31(24,27(35-9)36-32)17-16-29(23,30)6/h13,15,18,21-27,33H,10-12,14,16-17,19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27+,29-,30+,31+,32-/m0/s1
4.3 InChIKey
CRZHMFVUXYIFSA-GFZCSUDHSA-N
4.4 Canonical SMILES
CC(CC(C=C(C)C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C
4.5 Isomeric SMILES
C[C@@H](C[C@H](C=C(C)C)OC)[C@H]1CC[C@]2([C@]1(CC[C@@]34[C@@H]2C=C[C@@]5([C@@H]3CC[C@H](C5(C)C)O)O[C@H]4OC)C)C
