1. Primary Information
| English name: | Karaviloside X |
| CAS No.: | 934739-34-1 |
| Molecular formula: | C42H68O14 |
| Molecular weight: | 797.0 g/mol |
| SMILES: | CC(C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4)C)C)C(C(C=C(C)C)OC7C(C(C(C(O7)CO)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 | 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
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2S)-3-hydroxy-6-methyl-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
4.2 InChI
InChI=1S/C42H68O14/c1-20(2)16-23(53-36-34(50)32(48)30(46)24(17-43)54-36)29(45)21(3)22-10-12-40(7)26-11-13-42-27(41(26,19-52-42)15-14-39(22,40)6)8-9-28(38(42,4)5)56-37-35(51)33(49)31(47)25(18-44)55-37/h11,13,16,21-37,43-51H,8-10,12,14-15,17-19H2,1-7H3/t21-,22+,23?,24+,25+,26-,27-,28-,29?,30+,31+,32+,33+,34+,35+,36+,37-,39+,40-,41-,42+/m0/s1
4.3 InChIKey
UVPDCWZQGLOBOB-WZLYLOCQSA-N
4.4 Canonical SMILES
CC(C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4)C)C)C(C(C=C(C)C)OC7C(C(C(C(O7)CO)O)O)O)O
4.5 Isomeric SMILES
C[C@@H]([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[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)OC4)C)C)C(C(C=C(C)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)O
