1. Primary Information
| English name: | Karavilagenin F |
| CAS No.: | 1639024-15-9 |
| Molecular formula: | C31H50O5 |
| Molecular weight: | 502.7 g/mol |
| SMILES: | CC(CC(C(C(=C)C)O)O)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 | HPLC≥96.5% | 6320 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3R,4R,6R)-6-[(1R,4S,5S,8R,9R,12S,13S,16S,19R)-16-hydroxy-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-8-yl]-2-methylhept-1-ene-3,4-diol
4.2 InChI
InChI=1S/C31H50O5/c1-18(2)25(34)21(32)17-19(3)20-11-13-29(7)22-12-14-31-23(9-10-24(33)27(31,4)5)30(22,26(35-8)36-31)16-15-28(20,29)6/h12,14,19-26,32-34H,1,9-11,13,15-17H2,2-8H3/t19-,20-,21-,22+,23+,24+,25-,26-,28-,29+,30+,31-/m1/s1
4.3 InChIKey
LCFNRXHRJSACLK-CWTBIIKVSA-N
4.4 Canonical SMILES
CC(CC(C(C(=C)C)O)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C
4.5 Isomeric SMILES
C[C@H](C[C@H]([C@@H](C(=C)C)O)O)[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
