1. Primary Information
| English name: | 25-O-Methylkaravilagenin D |
| CAS No.: | 1363422-85-8 |
| Molecular formula: | C31H48O4 |
| Molecular weight: | 484.7 g/mol |
| SMILES: | CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4=O)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 97.5% | 5920 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1R,4S,5S,8R,9R,12S,13S,16S)-16-hydroxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-19-one
4.2 InChI
InChI=1S/C31H48O4/c1-20(10-9-15-26(2,3)34-8)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(33)35-31)19-18-28(21,29)6/h9,14-15,17,20-24,32H,10-13,16,18-19H2,1-8H3/b15-9+/t20-,21-,22+,23+,24+,28-,29+,30+,31-/m1/s1
4.3 InChIKey
CDMNUIHDPJBCDT-XGCHVDKFSA-N
4.4 Canonical SMILES
CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4=O)C)C
4.5 Isomeric SMILES
C[C@H](C/C=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)OC4=O)C)C
