(2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[[(2R,4S,6S)-tetrahydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylic acid methyl ester (CAS 81417-80-3) — formula C29H40O12, molecular weight 580.6; category organic chemicals.
| CAS Number | 81417-80-3 |
|---|---|
| Molecular Formula | C29H40O12 |
| Molecular Weight | 580.6 |
| LogP | 1.1 |
| Category | Organic Chemicals |
(2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[[(2R,4S,6S)-tetrahydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylic acid methyl ester is a carbon-based organic compound with CAS registry number 81417-80-3 and molecular formula C29H40O12 (molecular weight 580.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81417-80-3
Its molecular formula C29H40O12 comprises 29 C, 40 H, 12 O atoms.
Also known as: (2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[[(2R,4S,6S)-tetrahydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylic acid methyl ester · (2S)-3α-乙烯基-2β-(β-D-吡喃葡萄糖氧基)-3,4-二氢-4α-[[(2R,4S,6S)-四氢-4-羟基-6-[2-(4-羟基苯基)乙基]-2H-吡喃-2-基]甲基]-2H-吡喃-5-甲酸甲酯
Category: organic chemicals
The CAS registry number of (2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[[(2R,4S,6S)-tetrahydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylic acid methyl ester is 81417-80-3.
Molecular formula C29H40O12, molecular weight 580.6.
It is also registered under: (2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[[(2R,4S,6S)-tetrahydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylic acid methyl ester, (2S)-3α-乙烯基-2β-(β-D-吡喃葡萄糖氧基)-3,4-二氢-4α-[[(2R,4S,6S)-四氢-4-羟基-6-[2-(4-羟基苯基)乙基]-2H-吡喃-2-基]甲基]-2H-吡喃-5-甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for (2S)-3α-Ethenyl-2β-(β-D-glucopyranosyloxy)-3,4-dihydro-4α-[[(2R,4S,6S)-tetrahydro-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylic acid methyl ester (CAS 81417-80-3), compiled from public chemistry databases.
| CAS 号 | 81417-80-3 |
|---|---|
| PubChem CID | 21589718 |
| 分子式 | C29H40O12 |
| IUPAC 名称 | methyl (2S,3R,4S)-3-ethenyl-4-[[(2R,4S,6S)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]oxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate |
| Molecular Weight | 580.6 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 11 |
| Exact Mass | 580.25197671 |
| Monoisotopic Mass | 580.25197671 |
| Topological Polar Surface Area | 185 |
| Heavy Atom Count | 41 |
Hydrangenoside E; RefChem:146987; 81417-80-3
(2S)-3α-乙烯基-2β-(β-D-吡喃葡萄糖氧基)-3,4-二氢-4α-[[(2R,4S,6S)-四氢-4-羟基-6-[2-(4-羟基苯基)乙基]-2H-吡喃-2-基]甲基]-2H-吡喃-5-甲酸甲酯 · CAS 81417-80-3 · C29H40O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.