6-Vanilloylcatalpol (CAS 39012-20-9) — formula C23H28O13, molecular weight 512.5; category organic chemicals.
6-Vanilloylcatalpol is a carbon-based organic compound with CAS registry number 39012-20-9 and molecular formula C23H28O13 (molecular weight 512.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 39012-20-9
Its molecular formula C23H28O13 comprises 23 C, 28 H, 13 O atoms.
Also known as: 6-Vanilloylcatalpol · picroside II
Category: organic chemicals
The CAS registry number of 6-Vanilloylcatalpol is 39012-20-9.
Molecular formula C23H28O13, molecular weight 512.5.
It is also registered under: 6-Vanilloylcatalpol, picroside II.
Category: Organic Chemicals.
Public-database records for 6-Vanilloylcatalpol (CAS 39012-20-9), reproduced here for independent cross-checking.
| CAS Registry Number | 39012-20-9 |
|---|---|
| PubChem CID | 3081484 |
| 分子式 | C23H28O13 |
| IUPAC 名称 | [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate |
| UNII（FDA） | NS00057203 |
PicrosideII; Picroside 2; C23H28O13; Picrosid II, HPLC Grade; Picroside-II; AS-56421; Picroside II [M+H]+; orb1304982; orb3139967; AKNILCMFRRDTEY-UHFFFAOYSA-N; CHEBI:191155; s3765; AKOS015896761; EBC-616607; MP10468; CID 3081484
| 分子量 | 512.5 |
|---|---|
| XLogP3 | -1.4 |
| 氢键供体数 | 6 |
| 氢键受体数 | 13 |
| 可旋转键数 | 8 |
| 精确质量 | 512.15299094 |
| 单同位素质量 | 512.15299094 |
| 拓扑极性表面积 | 197 |
| 重原子数 | 36 |
| 形式电荷 | 0 |
6-Vanilloylcatalpol · CAS 39012-20-9 · C23H28O13. UNII NS00057203.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.