Bufalin

CAT: 1407-AB0350Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB0350Size:20 mg

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CAS Number

465-21-4

Purity

98% (HPLC)

Molecular Formula

C24H34O4

Molecular Weight

386.532

Chemical Information

Bufalin

Bufalin is a 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo. It has a role as an antineoplastic agent, a cardiotonic drug, an anti-inflammatory agent and an animal metabolite. It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is functionally related to a bufanolide.

CAS Number	465-21-4
PubChem CID	9547215
IUPAC Name	5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Formula	C24H34O4
Molecular Weight	386.5
XLogP	3.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	28
Formal Charge	0
Complexity	741

SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

InChI

InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

InChIKey

QEEBRPGZBVVINN-BMPKRDENSA-N

Chemical Structure

2D Structure

CAS: 465-21-4

CID: 9547215

Formula: C24H34O4

MW: 386.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	386.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	386.24570956
Monoisotopic Mass	386.24570956
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FB19349-01	Bufalin

Bufalin

Chemical Information

Alternative Products

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