3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide (CAS 4589-95-1) — formula C30H44O9, molecular weight 548.7; category organic chemicals.
| CAS Number | 4589-95-1 |
|---|---|
| Molecular Formula | C30H44O9 |
| Molecular Weight | 548.7 |
| LogP | 1.2 |
| Category | Organic Chemicals |
3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide is a carbon-based organic compound with CAS registry number 4589-95-1 and molecular formula C30H44O9 (molecular weight 548.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4589-95-1
Its molecular formula C30H44O9 comprises 30 C, 44 H, 9 O atoms.
Also known as: 3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide · 3β-[(6-脱氧-3-O-甲基-α-L-吡喃葡萄糖基)氧基]-7β,8-环氧-14-羟基-5β-卡-20(22)-烯内酯
Category: organic chemicals
The CAS registry number of 3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide is 4589-95-1.
Molecular formula C30H44O9, molecular weight 548.7.
It is also registered under: 3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide, 3β-[(6-脱氧-3-O-甲基-α-L-吡喃葡萄糖基)氧基]-7β,8-环氧-14-羟基-5β-卡-20(22)-烯内酯.
Category: Organic Chemicals.
Independent reference data for 3β-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-7β,8-epoxy-14-hydroxy-5β-card-20(22)-enolide (CAS 4589-95-1), compiled from public chemistry databases.
| CAS 号 | 4589-95-1 |
|---|---|
| PubChem CID | 21637810 |
| 分子式 | C30H44O9 |
| IUPAC 名称 | 3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-7-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one |
| Molecular Weight | 548.7 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 548.29853298 |
| Monoisotopic Mass | 548.29853298 |
| Topological Polar Surface Area | 127 |
| Heavy Atom Count | 39 |
Deacetyltanghinin; 4589-95-1; CHEBI:66193; (3beta-O-alpha-L-thevetosyl)-14beta-hydroxy-7,8-epoxy-5beta-card-20(22)-enolide; RefChem:131105; (3b-O-a-L-Thevetosyl)-14b-hydroxy-7,8-epoxy-5b-card-20(22)-enolide; Desacetyl-tanghinin; 3|A-[(6-Deoxy-3-O-methyl-|A-L-glucopyranosyl)oxy]-7|A,8-epoxy-14-hydroxy-5|A-card-20(22)-enolide; Tanghinin, deacetyl-; orb3179856; SCHEMBL30341808; Q27134729
3β-[(6-脱氧-3-O-甲基-α-L-吡喃葡萄糖基)氧基]-7β,8-环氧-14-羟基-5β-卡-20(22)-烯内酯 · CAS 4589-95-1 · C30H44O9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3β-[(6-脱氧-3-O-甲基-α-L-吡喃葡萄糖基)氧基]-7β,8-环氧-14-羟基-5β-卡-20(22)-烯内酯