7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S )-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy- 2-(4-hydroxyphenyl)chromen-4-one (CAS 31921-42-3) — formula C27H30O15, molecular weight 594.5; category organic chemicals.
| CAS Number | 31921-42-3 |
|---|---|
| Molecular Formula | C27H30O15 |
| Molecular Weight | 594.5 |
| LogP | -0.4 |
| Category | Organic Chemicals |
7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S )-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy- 2-(4-hydroxyphenyl)chromen-4-one is a carbon-based organic compound with CAS registry number 31921-42-3 and molecular formula C27H30O15 (molecular weight 594.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31921-42-3
Its molecular formula C27H30O15 comprises 27 C, 30 H, 15 O atoms.
Also known as: 7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S )-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy- 2-(4-hydroxyphenyl)chromen-4-one · 7-[(2S,3R,4S,5R,6R)-4,5-二羟基-6-(羟甲基)-3-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-氧杂环己烷-2-基]氧基-氧杂环己烷-2-基]氧基-3,5-二羟基-2-(4-羟基苯基)铬-4-酮
Category: organic chemicals
The CAS registry number of 7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S )-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy- 2-(4-hydroxyphenyl)chromen-4-one is 31921-42-3.
Molecular formula C27H30O15, molecular weight 594.5.
It is also registered under: 7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S )-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy- 2-(4-hydroxyphenyl)chromen-4-one, 7-[(2S,3R,4S,5R,6R)-4,5-二羟基-6-(羟甲基)-3-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-氧杂环己烷-2-基]氧基-氧杂环己烷-2-基]氧基-3,5-二羟基-2-(4-羟基苯基)铬-4-酮.
Category: Organic Chemicals.
Independent reference data for 7-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5S,6S )-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dihydroxy- 2-(4-hydroxyphenyl)chromen-4-one (CAS 31921-42-3), compiled from public chemistry databases.
| CAS 号 | 31921-42-3 |
|---|---|
| PubChem CID | 5483905 |
| 分子式 | C27H30O15 |
| IUPAC 名称 | 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| UNII（FDA） | 74LUK83BTP |
| Molecular Weight | 594.5 |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 6 |
| Exact Mass | 594.15847025 |
| Monoisotopic Mass | 594.15847025 |
| Topological Polar Surface Area | 245 |
| Heavy Atom Count | 42 |
17353-03-6; Kaempferol 7-neohesperidoside; Kaempferol 7-O-neohesperidoside; 74LUK83BTP; K 7-neo; RefChem:792618; 241-377-3; MFCD06799437; Kaemp-7-neohesperidoside; 31921-42-3; Kaempferol-7-rhamnoglucoside; Kaempferol-7-neohesperidoside; Kaempferol-7-O-rhamnoglucoside; EINECS 241-377-3; Kaem-7-Glc-2pp-Man; Kaempferol-7-O-alpha-L-rhamnoside-D-glucoside
| 已通报的危害声明 | H302 (100%) |
|---|
7-[(2S,3R,4S,5R,6R)-4,5-二羟基-6-(羟甲基)-3-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-氧杂环己烷-2-基]氧基-氧杂环己烷-2-基]氧基-3,5-二羟基-2-(4-羟基苯基)铬-4-酮 · CAS 31921-42-3 · C27H30O15. UNII 74LUK83BTP.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.