Crocin (CAS 42553-65-1) — formula C44H64O24, molecular weight 977.0; category dyes and pigments.
Crocin is a colorant or pigment compound with CAS registry number 42553-65-1 and molecular formula C44H64O24 (molecular weight 977.0), belonging to the dyes and pigments segment of chemical raw materials.
CAS number: 42553-65-1
Its molecular formula C44H64O24 comprises 44 C, 64 H, 24 O atoms.
Also known as: Crocin · Gardenia Yellow
Category: dyes and pigments
The CAS registry number of Crocin is 42553-65-1.
Molecular formula C44H64O24, molecular weight 977.0.
It is also registered under: Crocin, Gardenia Yellow.
Category: Colorants.
Public-database records for Crocin (CAS 42553-65-1), reproduced here for independent cross-checking.
| 法规与食品接触 | COLOUR; Food Additives ->: Food Additives NOT ALLOCATED TRS 990-JECFA 79/29 FAS 70-JECFA 79/73 |
|---|
| 熔点 | 186 °C |
|---|
| CAS 号 | 42553-65-1 |
|---|---|
| PubChem CID | 5281233 |
| 分子式 | C44H64O24 |
| 分子量 | 976.38 g/mol |
| IUPAC 名称 | bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| InChIKey | SEBIKDIMAPSUBY-RTJKDTQDSA-N |
| UNII（FDA） | 877GWI46C2 |
| ChEBI 编号 | CHEBI:79068 |
Crocin; 42553-65-1; Crocine; Crocin 1; alpha-Crocin; Crocin A; Crocetin bis(gentiobiosyl) ester; DTXSID7046172; trans-Crocetin di(beta-D-gentiobiosyl) ester; crocetin di-gentiobiose ester; 877GWI46C2; all-trans-Crocetin di-beta-D-gentiobiosyl ester; DTXCID201457; 39465-00-4; 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester; RefChem:919204
| 分子量 | 977.0 |
|---|---|
| XLogP3 | -2.5 |
| 氢键供体数 | 14 |
| 氢键受体数 | 24 |
| 可旋转键数 | 20 |
| 精确质量 | 976.37875290 |
| 单同位素质量 | 976.37875290 |
| 拓扑极性表面积 | 391 |
| 重原子数 | 68 |
| 形式电荷 | 0 |
西红花苷 的 CAS 号为 42553-65-1，分子式 C44H64O24，分子量 976.38 g/mol。 UNII 877GWI46C2; ChEBI 79068; InChIKey SEBIKDIMAPSUBY-RTJKDTQDSA-N. 熔点: 186 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.