(1S,8R)-1α-(β-D-Glucopyranosyloxy)-4aα,5,6,8,9,9aα-hexahydro-8-hydroxy-6β,9β-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester (CAS 61774-57-0) — formula C17H24O12, molecular weight 420.4; category organic chemicals.
| CAS Number | 61774-57-0 |
|---|---|
| Molecular Formula | C17H24O12 |
| Molecular Weight | 420.4 |
| LogP | -2.4 |
| Category | Organic Chemicals |
(1S,8R)-1α-(β-D-Glucopyranosyloxy)-4aα,5,6,8,9,9aα-hexahydro-8-hydroxy-6β,9β-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester is a carbon-based organic compound with CAS registry number 61774-57-0 and molecular formula C17H24O12 (molecular weight 420.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 61774-57-0
Its molecular formula C17H24O12 comprises 17 C, 24 H, 12 O atoms.
Also known as: (1S,8R)-1α-(β-D-Glucopyranosyloxy)-4aα,5,6,8,9,9aα-hexahydro-8-hydroxy-6β,9β-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester · (1S,8R)-1α-(β-D-吡喃葡萄糖基氧基)-4aα,5,6,8,9,9aα-六氢-8-羟基-6β,9β-环氧-1H-吡喃并[3,4-d]氧杂环庚烷-4-甲酸甲酯
Category: organic chemicals
The CAS registry number of (1S,8R)-1α-(β-D-Glucopyranosyloxy)-4aα,5,6,8,9,9aα-hexahydro-8-hydroxy-6β,9β-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester is 61774-57-0.
Molecular formula C17H24O12, molecular weight 420.4.
It is also registered under: (1S,8R)-1α-(β-D-Glucopyranosyloxy)-4aα,5,6,8,9,9aα-hexahydro-8-hydroxy-6β,9β-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester, (1S,8R)-1α-(β-D-吡喃葡萄糖基氧基)-4aα,5,6,8,9,9aα-六氢-8-羟基-6β,9β-环氧-1H-吡喃并[3,4-d]氧杂环庚烷-4-甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for (1S,8R)-1α-(β-D-Glucopyranosyloxy)-4aα,5,6,8,9,9aα-hexahydro-8-hydroxy-6β,9β-epoxy-1H-pyrano[3,4-d]oxepine-4-carboxylic acid methyl ester (CAS 61774-57-0), compiled from public chemistry databases.
| CAS 号 | 61774-57-0 |
|---|---|
| PubChem CID | 443355 |
| 分子式 | C17H24O12 |
| IUPAC 名称 | methyl (1S,2S,3S,7S,9S,11R)-11-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10,12-trioxatricyclo[7.2.1.02,7]dodec-5-ene-6-carboxylate |
| Molecular Weight | 420.4 |
|---|---|
| XLogP3 | -2.4 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.12677620 |
| Monoisotopic Mass | 420.12677620 |
| Topological Polar Surface Area | 174 |
| Heavy Atom Count | 29 |
Secogalioside; 61774-57-0; C11674; CHEBI:9074; DTXSID00332075; Q27108261
(1S,8R)-1α-(β-D-吡喃葡萄糖基氧基)-4aα,5,6,8,9,9aα-六氢-8-羟基-6β,9β-环氧-1H-吡喃并[3,4-d]氧杂环庚烷-4-甲酸甲酯 · CAS 61774-57-0 · C17H24O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (1S,8R)-1α-(β-D-吡喃葡萄糖基氧基)-4aα,5,6,8,9,9aα-六氢-8-羟基-6β,9β-环氧-1H-吡喃并[3,4-d]氧杂环庚烷-4-甲酸甲酯