3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide (CAS 30685-91-7) — formula C38H56N4O9, molecular weight 712.9; category organic chemicals.
| CAS Number | 30685-91-7 |
|---|---|
| Molecular Formula | C38H56N4O9 |
| Molecular Weight | 712.9 |
| LogP | 2.9 |
| Category | Organic Chemicals |
3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide is a carbon-based organic compound with CAS registry number 30685-91-7 and molecular formula C38H56N4O9 (molecular weight 712.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30685-91-7
Its molecular formula C38H56N4O9 comprises 38 C, 56 H, 4 N, 9 O atoms.
Also known as: 3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide · 3β-[[8-[[(1S)-4-[氨基(亚氨基)甲基氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14,15β-环氧-5-羟基-5β-bufa-20,22-二烯内酯
Category: organic chemicals
The CAS registry number of 3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide is 30685-91-7.
Molecular formula C38H56N4O9, molecular weight 712.9.
It is also registered under: 3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide, 3β-[[8-[[(1S)-4-[氨基(亚氨基)甲基氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14,15β-环氧-5-羟基-5β-bufa-20,22-二烯内酯.
Category: Organic Chemicals.
Independent reference data for 3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide (CAS 30685-91-7), compiled from public chemistry databases.
| CAS 号 | 30685-91-7 |
|---|---|
| PubChem CID | 169186 |
| 分子式 | C38H56N4O9 |
| IUPAC 名称 | (2R)-5-(diaminomethylideneamino)-2-[[8-[[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid |
| Molecular Weight | 712.9 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 16 |
| Exact Mass | 712.40472938 |
| Monoisotopic Mass | 712.40472938 |
| Topological Polar Surface Area | 216 |
| Heavy Atom Count | 51 |
DTXSID20952931; RefChem:1066322; DTXCID601380998; Marino-bufotoxin
3β-[[8-[[(1S)-4-[氨基(亚氨基)甲基氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14,15β-环氧-5-羟基-5β-bufa-20,22-二烯内酯 · CAS 30685-91-7 · C38H56N4O9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3β-[[8-[[(1S)-4-[氨基(亚氨基)甲基氨基]-1-羧丁基]氨基]-1,8-二氧代辛基]氧基]-14,15β-环氧-5-羟基-5β-bufa-20,22-二烯内酯