1,4,8-Trihydroxy-2,3,4,9-tetrahydro-3-methyl-7-[4,8,9a-trihydroxy-1,2,3,4,9,9a-hexahydro-3-methyl-9,11-dioxo-1,4a-(epoxymethano)-4aH-xanthen-7-yl]-9-oxo-4aH-xanthene-4a-carboxylic acid methyl ester (CAS 2755-83-1) — formula C31H28O14, molecular weight 624.5; category organic chemicals.
| CAS Number | 2755-83-1 |
|---|---|
| Molecular Formula | C31H28O14 |
| Molecular Weight | 624.5 |
| LogP | 2.2 |
| Category | Organic Chemicals |
1,4,8-Trihydroxy-2,3,4,9-tetrahydro-3-methyl-7-[4,8,9a-trihydroxy-1,2,3,4,9,9a-hexahydro-3-methyl-9,11-dioxo-1,4a-(epoxymethano)-4aH-xanthen-7-yl]-9-oxo-4aH-xanthene-4a-carboxylic acid methyl ester is a carbon-based organic compound with CAS registry number 2755-83-1 and molecular formula C31H28O14 (molecular weight 624.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2755-83-1
Its molecular formula C31H28O14 comprises 31 C, 28 H, 14 O atoms.
Also known as: 1,4,8-Trihydroxy-2,3,4,9-tetrahydro-3-methyl-7-[4,8,9a-trihydroxy-1,2,3,4,9,9a-hexahydro-3-methyl-9,11-dioxo-1,4a-(epoxymethano)-4aH-xanthen-7-yl]-9-oxo-4aH-xanthene-4a-carboxylic acid methyl ester · 1,4,8-三羟基-2,3,4,9-四氢-3-甲基-7-[4,8,9a-三羟基-1,2,3,4,9,9a-六氢-3-甲基-9,11-二氧代-1,4a-(环氧甲烷)-4aH-呫吨-7-基]-9-氧代-4aH-呫吨-4a-甲酸甲酯
Category: organic chemicals
The CAS registry number of 1,4,8-Trihydroxy-2,3,4,9-tetrahydro-3-methyl-7-[4,8,9a-trihydroxy-1,2,3,4,9,9a-hexahydro-3-methyl-9,11-dioxo-1,4a-(epoxymethano)-4aH-xanthen-7-yl]-9-oxo-4aH-xanthene-4a-carboxylic acid methyl ester is 2755-83-1.
Molecular formula C31H28O14, molecular weight 624.5.
It is also registered under: 1,4,8-Trihydroxy-2,3,4,9-tetrahydro-3-methyl-7-[4,8,9a-trihydroxy-1,2,3,4,9,9a-hexahydro-3-methyl-9,11-dioxo-1,4a-(epoxymethano)-4aH-xanthen-7-yl]-9-oxo-4aH-xanthene-4a-carboxylic acid methyl ester, 1,4,8-三羟基-2,3,4,9-四氢-3-甲基-7-[4,8,9a-三羟基-1,2,3,4,9,9a-六氢-3-甲基-9,11-二氧代-1,4a-(环氧甲烷)-4aH-呫吨-7-基]-9-氧代-4aH-呫吨-4a-甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for 1,4,8-Trihydroxy-2,3,4,9-tetrahydro-3-methyl-7-[4,8,9a-trihydroxy-1,2,3,4,9,9a-hexahydro-3-methyl-9,11-dioxo-1,4a-(epoxymethano)-4aH-xanthen-7-yl]-9-oxo-4aH-xanthene-4a-carboxylic acid methyl ester (CAS 2755-83-1), compiled from public chemistry databases.
| CAS 号 | 2755-83-1 |
|---|---|
| PubChem CID | 101967139 |
| 分子式 | C31H28O14 |
| IUPAC 名称 | methyl (3R,4S,4aS)-4,8,9-trihydroxy-3-methyl-1-oxo-7-[(1S,10R,11S,13S,14S)-7,10,14-trihydroxy-13-methyl-9,15-dioxo-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-6-yl]-3,4-dihydro-2H-xanthene-4a-carboxylate |
| UNII（FDA） | Y0ON549T8S |
| Molecular Weight | 624.5 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 3 |
| Exact Mass | 624.14790556 |
| Monoisotopic Mass | 624.14790556 |
| Topological Polar Surface Area | 227 |
| Heavy Atom Count | 45 |
Ergochrysin A; Y0ON549T8S; UNII-Y0ON549T8S; 2755-83-1
1,4,8-三羟基-2,3,4,9-四氢-3-甲基-7-[4,8,9a-三羟基-1,2,3,4,9,9a-六氢-3-甲基-9,11-二氧代-1,4a-(环氧甲烷)-4aH-呫吨-7-基]-9-氧代-4aH-呫吨-4a-甲酸甲酯 · CAS 2755-83-1 · C31H28O14. UNII Y0ON549T8S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.