CAS 13137-64-9 | Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3β,5β)- | CAS Number 13137-64-9

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13137-64-9 | Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3β,5β)-

CAS No: 13137-64-9 Catalog No: AG000W0U MDL No:MFCD01745141

Product Description

Catalog Number:

AG000W0U

Chemical Name:

Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3β,5β)-

CAS Number:

13137-64-9

Molecular Formula:

C36H56O13

Molecular Weight:

696.8220

MDL Number:

MFCD01745141

IUPAC Name:

3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

InChI:

InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1

InChI Key:

KWBPKUMWVXUSCA-AXQDKOMKSA-N

SMILES:

CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C

UNII:

199X940O3K

Properties

Complexity:

1280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

696.372g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

696.831g/mol

Monoisotopic Mass:

696.372g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

194A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
[Affect of Ag+ and La3+ elicitors on growth and accumulation of adventitious roots of Periploca sepium].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20110101
Determination and pharmacokinetics of periplocin in rat plasma by LC-MS.	Biomedical chromatography : BMC 20101001
[Induction of Periploca sepium in vitro plantlet and studies on dynamic accumulation of periplocin].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100901
Periplocin from Cortex periplocae inhibits cell growth and down-regulates survivin and c-myc expression in colon cancer in vitro and in vivo via beta-catenin/TCF signaling.	Oncology reports 20100801
Gene expression profiling of the proliferative effect of periplocin on mouse cardiac microvascular endothelial cells.	Chinese journal of integrative medicine 20100201
Periplocin inhibits growth of lung cancer in vitro and in vivo by blocking AKT/ERK signaling pathways.	Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology 20100101
[Immunoregulatory effects of periplocin from Cortex Periplocae in tumor-bearing mice].	Xi bao yu fen zi mian yi xue za zhi = Chinese journal of cellular and molecular immunology 20091001
[Periplocin extracted from cortex periplocae induces apoptosis of SW480 cells through inhibiting the Wnt/beta-catenin signaling pathway].	Ai zheng = Aizheng = Chinese journal of cancer 20090501
The assessment of absorption of periplocin in situ via intestinal perfusion of rats by HPLC.	Biomedical chromatography : BMC 20080201
[Determination of periplocin in different parts of Periploca sepium].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20060701
[Isolation and structure elucidation of glycosides in n-butanol extracts from rhizome of Periploca calophylla].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050101