Cas no 30685-91-7 (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-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide structure](https://ossimg.kuujia.com/scimg/31000/30685-91-7x500.png)
30685-91-7 structure
Product Name: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 No:30685-91-7
MF:C38H56N4O9
MW:712.885g/molg/mol
CID:314053
PubChem ID:101996079
Update Time:2024-02-29
3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide Chemical and Physical Properties
Names and Identifiers
-
- Bufa-20,22-dienolide,3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15-epoxy-5-hydroxy-,(3b,5b,15b)-
- 3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide
- cyclohexanamine,2,3-dihydroxypropyl dihydrogen phosphate
- Marinobufotoxin
- CID 101996079
- 3-(N-suberoylargininyl)marinobufagin
- Bufa-20,22-dienolide, 3-[[8-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15-epoxy-5-hydroxy-, (3β,5β,15β)-
-
- Inchi： 1S/C38H56N4O9/c1-35-16-13-24(50-32(45)10-6-4-3-5-9-30(43)42-28(33(46)47)8-7-19-41-34(39)40)21-37(35,48)18-15-26-25(35)14-17-36(2)27(20-29-38(26,36)51-29)23-11-12-31(44)49-22-23/h11-12,22,24-29,48H,3-10,13-21H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)/t24-,25-,26+,27+,28-,29+,35+,36+,37-,38+/m0/s1
- InChI Key： SRSJNASBFYXJMJ-OQARAGJZSA-N
- SMILES： O1[C@@H]2C[C@H](C3=COC(C=C3)=O)[C@@]3(C)CC[C@@H]4[C@@]5(C)CC[C@@H](C[C@]5(CC[C@H]4[C@]132)O)OC(CCCCCCC(N[C@H](C(=O)O)CCC/N=C(\N)/N)=O)=O
Computed Properties
- Exact Mass: 712.405
- Monoisotopic Mass: 712.405
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 51
- Rotatable Bond Count: 16
- Complexity: 1480
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 216
- XLogP3: 2.9
Experimental Properties
- Density: 1.43
- Melting Point: 204-205 °C
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.658
- PSA: 260.08000
- LogP: -1.12410
- pka: 3.60±0.10(Predicted)
3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide Related Literature
-
Pieter S. Steyn,Fanie R. van Heerden Nat. Prod. Rep. 1998 15 397
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Bufanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bufanolides and derivatives
30685-91-7 (3β-[[8-[[(1S)-4-[Amino(imino)methylamino]-1-carboxybutyl]amino]-1,8-dioxooctyl]oxy]-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
