1. Primary Information
| English name: | Taikuguasin D |
| CAS No.: | 1627163-80-7 |
| Molecular formula: | C37H60O9 |
| Molecular weight: | 648.9 g/mol |
| SMILES: | CC(CC(C=C(C)C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC45C3C=CC6(C4CCC(C6(C)C)O)OC5OC)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
(2R,3R,4S,5S,6R)-2-[(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-2-en-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
4.2 InChI
InChI=1S/C37H60O9/c1-20(2)17-22(44-31-30(42)29(41)28(40)24(19-38)45-31)18-21(3)23-11-13-35(7)25-12-14-37-26(9-10-27(39)33(37,4)5)36(25,32(43-8)46-37)16-15-34(23,35)6/h12,14,17,21-32,38-42H,9-11,13,15-16,18-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27+,28-,29+,30-,31-,32-,34-,35+,36+,37-/m1/s1
4.3 InChIKey
RVCCHJUOIUYRLI-OFUYWKQXSA-N
4.4 Canonical SMILES
CC(CC(C=C(C)C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC45C3C=CC6(C4CCC(C6(C)C)O)OC5OC)C)C
4.5 Isomeric SMILES
C[C@H](C[C@H](C=C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3C=C[C@]6([C@H]4CC[C@@H](C6(C)C)O)O[C@H]5OC)C)C
