1. Primary Information
| English name: | Jasnervoside C |
| CAS No.: | 1622337-36-3 |
| Molecular formula: | C45H60O21 |
| Molecular weight: | 936.9 g/mol |
| SMILES: | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)C)O)OC(=O)C(=CCCC(C)(C=C)O)C)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
| 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
[(2R,3R,4R,5S,6S)-2-[[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl] (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
4.2 InChI
InChI=1S/C45H60O21/c1-6-45(5,58)16-7-8-21(2)41(57)65-39-33(52)23(4)61-43(36(39)55)60-20-30-38(64-31(50)14-11-24-9-12-26(46)28(48)18-24)40(66-44-35(54)34(53)32(51)22(3)62-44)37(56)42(63-30)59-17-15-25-10-13-27(47)29(49)19-25/h6,8-14,18-19,22-23,30,32-40,42-44,46-49,51-56,58H,1,7,15-17,20H2,2-5H3/b14-11+,21-8+/t22-,23-,30+,32-,33-,34+,35+,36+,37+,38+,39+,40+,42+,43+,44-,45-/m0/s1
4.3 InChIKey
KTIKMYBMAISULD-HTOWKXNTSA-N
4.4 Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)C)O)OC(=O)C(=CCCC(C)(C=C)O)C)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
4.5 Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)OC(=O)/C(=C/CC[C@](C)(C=C)O)/C)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
