1. Primary Information
| English name: | CID 6850749 |
| CAS No.: | 9000-59-3 |
| Molecular formula: | C30H50O11 |
| Molecular weight: | 586.7 g/mol |
| SMILES: | CC1(C2CCC(C23CC1C(=CC3O)C(=O)O)C(=O)O)CO.C(CCCC(C(CCCCCO)O)O)CCCC(=O)O |
| Structural class: | |
| Other identifiers: |
shellac shellac ammonium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500g | CP | 120 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylic acid;9,10,15-trihydroxypentadecanoic acid
4.2 InChI
InChI=1S/C15H20O6.C15H30O5/c1-14(6-16)9-5-15(11(17)4-7(9)12(18)19)8(13(20)21)2-3-10(14)15;16-12-8-4-6-10-14(18)13(17)9-5-2-1-3-7-11-15(19)20/h4,8-11,16-17H,2-3,5-6H2,1H3,(H,18,19)(H,20,21);13-14,16-18H,1-12H2,(H,19,20)/t8-,9-,10?,11-,14+,15?;/m0./s1
4.3 InChIKey
ZLGIYFNHBLSMPS-ATJNOEHPSA-N
4.4 Canonical SMILES
CC1(C2CCC(C23CC1C(=CC3O)C(=O)O)C(=O)O)CO.C(CCCC(C(CCCCCO)O)O)CCCC(=O)O
4.5 Isomeric SMILES
C[C@]1([C@H]2CC3(C1CC[C@H]3C(=O)O)[C@H](C=C2C(=O)O)O)CO.C(CCCC(C(CCCCCO)O)O)CCCC(=O)O
