Bufotalin structure, CAS 471-95-4

Bufotalin

CAS Number471-95-4

SynonymsBufotaline; Bufotalin std.; 16-(Acetyloxy)-3,14-dihydroxybufa-20,22-dienolide; BUFOTALIN(SH); BUFOTALIN SULFATE; (3b,5b,16b)-16-(Acetyloxy)-3,14-dihydroxybufa-20,22-dienolide; Bufotalin; 3b,14,16b-Trihydroxy-5b-bufa-20,22-dienolide 16-Acetate; (3β,5β,16β)-16-Acetoxy-3,14-dihydroxybufa-20,22-dienolide

Molecular FormulaC26H36O6

Molecular Weight444.57

Purity98.00%

Density1.3±0.1 g/cm3

Boiling Point591.7±50.0 °C at 760 mmHg

Melting Point223°C (rough estimate)

Flash Point

AppearanceWhite to off-white solid

EINECS

MSDSChineseEnglish

Symbol6.1(a)

Signal WordWarning

Cat. No.: 2A-9009478 Purity: 98.00%
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Quality Control of [ 471-95-4 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number471-95-4
Catalog No.2A-9009478
Chinese Name蟾毒它灵, 蟾蜍他灵
SynonymsBufotaline; Bufotalin std.; 16-(Acetyloxy)-3,14-dihydroxybufa-20,22-dienolide; BUFOTALIN(SH); BUFOTALIN SULFATE; (3b,5b,16b)-16-(Acetyloxy)-3,14-dihydroxybufa-20,22-dienolide; Bufotalin; 3b,14,16b-Trihydroxy-5b-bufa-20,22-dienolide 16-Acetate; (3β,5β,16β)-16-Acetoxy-3,14-dihydroxybufa-20,22-dienolide
Molecular FormulaC26H36O6
Molecular Weight444.57
Purity98.00
Density1.3±0.1 g/cm3
Boiling Point591.7±50.0 °C at 760 mmHg
Melting Point223°C (rough estimate)
AppearanceWhite to off-white solid
Storage ConditionStore in a sealed container in a ventilated and dr
PackagingII
ApplicationBufotalin is a bufonin steroid hormone secreted by toad species and a cardiac glycoside analogue, which has been reported to have anti-cancer activity.
HTC29329990
MDL NumberMFCD00210248
SMILESCC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1c1ccc(=O)oc1
InChIInChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19?,20?,21+,23+,24+,25-,26+/m1/s1
InChI KeyVOZHMAYHYHEWBW-NVOOAVKYSA-N
Hazard Symbols6.1(a)
MSDSmsds/9478_1_471_95_4.pdf
Transport InfoProduct Name: Buadalin
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