(1S)-1α-(β-D-Glucopyranosyloxy)-6α-[[(E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-methylcyclopenta[c]pyran-4-carboxylic acid (CAS 96681-56-0) — formula C32H42O18, molecular weight 714.7; category organic chemicals.
| CAS Number | 96681-56-0 |
|---|---|
| Molecular Formula | C32H42O18 |
| Molecular Weight | 714.7 |
| LogP | -1.2 |
| Category | Organic Chemicals |
(1S)-1α-(β-D-Glucopyranosyloxy)-6α-[[(E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-methylcyclopenta[c]pyran-4-carboxylic acid is a carbon-based organic compound with CAS registry number 96681-56-0 and molecular formula C32H42O18 (molecular weight 714.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96681-56-0
Its molecular formula C32H42O18 comprises 32 C, 42 H, 18 O atoms.
Also known as: (1S)-1α-(β-D-Glucopyranosyloxy)-6α-[[(E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-methylcyclopenta[c]pyran-4-carboxylic acid · (1S)-1α-(β-D-吡喃葡萄糖氧基)-6α-[[(E)-3-[4-(β-D-吡喃葡萄糖氧基)-3-甲氧基苯基]-1-氧代-2-丙烯基]氧基]-1,4aα,5,6,7,7aα-六氢-7α-甲基环戊[c]吡喃-4-羧酸
Category: organic chemicals
The CAS registry number of (1S)-1α-(β-D-Glucopyranosyloxy)-6α-[[(E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-methylcyclopenta[c]pyran-4-carboxylic acid is 96681-56-0.
Molecular formula C32H42O18, molecular weight 714.7.
It is also registered under: (1S)-1α-(β-D-Glucopyranosyloxy)-6α-[[(E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-methylcyclopenta[c]pyran-4-carboxylic acid, (1S)-1α-(β-D-吡喃葡萄糖氧基)-6α-[[(E)-3-[4-(β-D-吡喃葡萄糖氧基)-3-甲氧基苯基]-1-氧代-2-丙烯基]氧基]-1,4aα,5,6,7,7aα-六氢-7α-甲基环戊[c]吡喃-4-羧酸.
Category: Organic Chemicals.
Independent reference data for (1S)-1α-(β-D-Glucopyranosyloxy)-6α-[[(E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4aα,5,6,7,7aα-hexahydro-7α-methylcyclopenta[c]pyran-4-carboxylic acid (CAS 96681-56-0), compiled from public chemistry databases.
| CAS 号 | 96681-56-0 |
|---|---|
| PubChem CID | 6442203 |
| 分子式 | C32H42O18 |
| IUPAC 名称 | 6-[(E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Molecular Weight | 714.7 |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 12 |
| Exact Mass | 714.23711449 |
| Monoisotopic Mass | 714.23711449 |
| Topological Polar Surface Area | 281 |
| Heavy Atom Count | 50 |
(1S)-1α-(β-D-吡喃葡萄糖氧基)-6α-[[(E)-3-[4-(β-D-吡喃葡萄糖氧基)-3-甲氧基苯基]-1-氧代-2-丙烯基]氧基]-1,4aα,5,6,7,7aα-六氢-7α-甲基环戊[c]吡喃-4-羧酸 · CAS 96681-56-0 · C32H42O18.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.