Beta-Chaconine

CAT: 1596-AR-C07074-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-C07074-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

472-51-5

Molecular Formula

C39<.sub>H63<.sub>NO10<.sub>

Molecular Weight

705.93

API Name

Chaconine

Chemical Information

(3beta)-Solanid-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

β-chaconine has been reported in Solanum tuberosum, Fritillaria thunbergii, and other organisms with data available.

CAS Number	472-51-5
PubChem CID	119393
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula	C39H63NO10
Molecular Weight	705.9
XLogP	3.4
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	50
Formal Charge	0
Complexity	1290

SMILES

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C

InChI

InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1

InChIKey

ZLSYCIYRYZUJCZ-MTXMLOAPSA-N

Chemical Structure

2D Structure

CAS: 472-51-5

CID: 119393

Formula: C39H63NO10

MW: 705.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	705.9
XLogP3	3.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	705.44519721
Monoisotopic Mass	705.44519721
Topological Polar Surface Area	162 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1290
Isotope Atom Count	0
Defined Atom Stereocenter Count	21
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-C07075-01	Gamma-Chaconine
AR-I04340-01	Beta-Escin (beta-Aescin) (beta >60%)
AR-C04083-01	Calcium Beta-hydroxy-beta-methylbutyrate
AR-O01001-01	6-beta,7-beta-Obeticholic Acid
AR-L07088-01	3-beta,5-beta-Tetrahydro Levonorgestrel
AR-C07295-01	5 beta, 6 beta-Epoxy-Cholestanol
AR-G01768-01	Beta Glucan
AR-G01070-01	Beta-Glucogallin
AR-F09612-01	Beta-Farnesene
AR-D01853-01	Beta-Diisobutylene

Alternative Products

Catalog	Name
AAA51136-01	γ-Chaconine
296859-01	A-Chaconine
sc-504776A	α-Chaconine
GTR19183907	α-Chaconine
TRC-C291810-1MG	Alpha-Chaconine
HY-129113R	α-?Chaconine (Standard)
300008	Beta, beta-Dimethylacrylshikonin (Beta, beta-DimethylacrylAlkannin)
MBS5822352	beta,beta-Trehalose
OR16558-01	Beta, beta-Dimethylphenethylamine
GTR19160134-01	Beta, beta-dimethylacrylshikonin

Beta-Chaconine

Chemical Information

Related Products

Alternative Products

Popular Products