methyl (1S,4aS,5R,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 27530-67-2) — formula C17H24O11, molecular weight 404.4; category organic chemicals.
methyl (1S,4aS,5R,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is a carbon-based organic compound with CAS registry number 27530-67-2 and molecular formula C17H24O11 (molecular weight 404.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 27530-67-2
Its molecular formula C17H24O11 comprises 17 C, 24 H, 11 O atoms.
Also known as: methyl (1S,4aS,5R,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate · Scandoside methyl ester
Category: organic chemicals
The CAS registry number of methyl (1S,4aS,5R,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate is 27530-67-2.
Molecular formula C17H24O11, molecular weight 404.4.
It is also registered under: methyl (1S,4aS,5R,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, Scandoside methyl ester.
Category: Organic Chemicals.
Public-database records for methyl (1S,4aS,5R,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 27530-67-2), reproduced here for independent cross-checking.
| CAS 号 | 27530-67-2 |
|---|---|
| PubChem CID | 442433 |
| 分子式 | C17H24O11 |
| IUPAC 名称 | methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
27530-67-2; Scandoside methyl ester; Scandoside, methyl ester; RefChem:1098367; Feretoside; 6beta-hydroxygeniposide; Scandioside methyl ester; 6|A-Hydroxygeniposide; CHEMBL516850; AKOS015896743; C09798; CHEBI:9046; orb1296081; SCHEMBL20572206; DTXSID80950211; HY-N6249
| 分子量 | 404.4 |
|---|---|
| XLogP3 | -3.5 |
| 氢键供体数 | 6 |
| 氢键受体数 | 11 |
| 可旋转键数 | 6 |
| 精确质量 | 404.13186158 |
| 单同位素质量 | 404.13186158 |
| 拓扑极性表面积 | 175 |
| 重原子数 | 28 |
| 形式电荷 | 0 |
鸡屎藤次苷甲酯 · CAS 27530-67-2 · C17H24O11.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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