1. Primary Information
| English name: | 3beta-Vanilloyloxy-21beta,29-dihydroxyserrat-14-en-24-oic acid |
| CAS No.: | 1217268-14-8 |
| Molecular formula: | C38H54O8 |
| Molecular weight: | 638.8 g/mol |
| SMILES: | CC12CCC3C(C1CCC4C(=CCC5C4(CCC(C5(C)CO)O)C)C2)(CCC(C3(C)C(=O)O)OC(=O)C6=CC(=C(C=C6)O)OC)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 97% | 6560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S,6R,7R,8S,11R,12S,15S,16R,19R,20S,21R)-19-hydroxy-8-(4-hydroxy-3-methoxybenzoyl)oxy-20-(hydroxymethyl)-3,7,11,16,20-pentamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid
4.2 InChI
InChI=1S/C38H54O8/c1-34-16-13-29-36(3,18-15-31(38(29,5)33(43)44)46-32(42)22-7-10-25(40)26(19-22)45-6)27(34)12-9-24-23(20-34)8-11-28-35(24,2)17-14-30(41)37(28,4)21-39/h7-8,10,19,24,27-31,39-41H,9,11-18,20-21H2,1-6H3,(H,43,44)/t24-,27-,28+,29+,30+,31-,34-,35+,36+,37+,38+/m0/s1
4.3 InChIKey
YYODNZBAUQJYJL-YAAKAUJRSA-N
4.4 Canonical SMILES
CC12CCC3C(C1CCC4C(=CCC5C4(CCC(C5(C)CO)O)C)C2)(CCC(C3(C)C(=O)O)OC(=O)C6=CC(=C(C=C6)O)OC)C
4.5 Isomeric SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)CO)O)C)C2)(CC[C@@H]([C@]3(C)C(=O)O)OC(=O)C6=CC(=C(C=C6)O)OC)C
