1. Primary Information
| English name: | CID 154831701 |
| CAS No.: | 109460-83-5 |
| Molecular formula: | C39H62O13 |
| Molecular weight: | 738.9 g/mol |
| SMILES: | CC1CCC2(C(C3C(O2)CC4(C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)O)C)OC1 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 2700 | Buy now | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3S,4S,5S,6R)-2-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4R,5'S,6S,7R,8S,9S,12R,13S,16R)-2-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
4.2 InChI
InChI=1S/C39H62O13/c1-18-8-13-39(47-17-18)19(2)27-25(52-39)15-38(46)24-7-6-21-14-22(9-11-36(21,4)23(24)10-12-37(27,38)5)49-35-33(31(44)29(42)26(16-40)50-35)51-34-32(45)30(43)28(41)20(3)48-34/h6,18-20,22-35,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37-,38-,39-/m0/s1
4.3 InChIKey
NSZNCLIIQOMCSO-TVBBZFMISA-N
4.4 Canonical SMILES
CC1CCC2(C(C3C(O2)CC4(C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)O)C)OC1
4.5 Isomeric SMILES
C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)C[C@]4([C@]3(CC[C@@H]5[C@@H]4CC=C6[C@]5(CC[C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)C)O)O)O)C)C)O)C)OC1
