Name: Name:Desacetylcinobufagin
Brand: Angene
SKU: AG00C6IT
Rating: 90 (10 reviews)

Desacetylcinobufagin

CAS No.:

4026-95-3

Catalog Number:

AG00C6IT

Molecular Formula:

C24H32O5

Molecular Weight:

400.5079

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

99%

1 week

United States

$404

- +

5mg

99%

1 week

United States

$848

- +

10mg

99%

1 week

United States

$1154

- +

Product Description

Catalog Number:

AG00C6IT

Chemical Name:

Desacetylcinobufagin

CAS Number:

4026-95-3

Molecular Formula:

C24H32O5

Molecular Weight:

400.5079

MDL Number:

MFCD01740865

IUPAC Name:

5-[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

InChI:

InChI=1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16+,17-,19+,20-,21-,22+,23-,24-/m1/s1

InChI Key:

IXZHDDUFQVXHIL-UOAIQHMYSA-N

SMILES:

O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)C

Properties

Complexity:

818

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

400.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

400.515g/mol

Monoisotopic Mass:

400.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Comparative metabolism of cinobufagin in liver microsomes from mouse, rat, dog, minipig, monkey, and human.	Drug metabolism and disposition: the biological fate of chemicals 20110401
Isolation and structure of five new cancer cell growth inhibitory bufadienolides from the Chinese traditional drug Ch'an Su.	Journal of natural products 20010901