1. Primary Information
| English name: | Taikuguasin D aglycon |
| CAS No.: | 2185847-09-8 |
| Molecular formula: | C31H50O4 |
| Molecular weight: | 486.7 g/mol |
| SMILES: | CC(CC(C=C(C)C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 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,19R)-8-[(2R,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
4.2 InChI
InChI=1S/C31H50O4/c1-19(2)17-21(32)18-20(3)22-11-13-29(7)23-12-14-31-24(9-10-25(33)27(31,4)5)30(23,26(34-8)35-31)16-15-28(22,29)6/h12,14,17,20-26,32-33H,9-11,13,15-16,18H2,1-8H3/t20-,21+,22-,23+,24+,25+,26-,28-,29+,30+,31-/m1/s1
4.3 InChIKey
POQVDDSRCLWLJB-DMRKNDKQSA-N
4.4 Canonical SMILES
CC(CC(C=C(C)C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C
4.5 Isomeric SMILES
C[C@H](C[C@H](C=C(C)C)O)[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)O[C@H]4OC)C)C
