Cynanoside F

CAT: 0931-TN5316Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN5316Size:5 mg

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CAS Number

1800029-50-8

Bioactivity

Cynanoside F is a natural product for research related to life sciences. The catalog number is TN5316 and the CAS number is 1800029-50-8.

Smiles

C[C@@]12[C@@]3([C@](C(=O)O[C@]4([C@]5(C(CC3)=CO[C@@]5(C)OC4)[H])[H])(CC=C1C[C@@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@@H]8C[C@@H](OC)[C@H](O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)[C@H](O)C2)[H])[H]

Molecular Formula

C41H62O15

Molecular Weight

794.92

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cynanoside F

CAS Number	1800029-50-8
PubChem CID	154804609
IUPAC Name	(4S,5R,7R,8R,13R,16S,19R,22R)-7-hydroxy-8-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Molecular Formula	C41H62O15
Molecular Weight	794.9
XLogP	1.8
Topological Polar Surface Area	179
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Heavy Atom Count	56
Formal Charge	0
Complexity	1490

SMILES

C[C@@H]1[C@H]([C@@H](C[C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@@H]4CC5=CC[C@@H]6[C@@H]([C@]5(C[C@H]4O)C)CCC7=CO[C@@]8([C@H]7[C@@H](CO8)OC6=O)C)C)C)OC)O

InChI

InChI=1S/C41H62O15/c1-19-36(44)29(46-6)14-34(50-19)55-37-20(2)51-32(13-26(37)42)56-38-21(3)52-33(15-30(38)47-7)53-28-12-23-9-10-24-25(40(23,4)16-27(28)43)11-8-22-17-48-41(5)35(22)31(18-49-41)54-39(24)45/h9,17,19-21,24-38,42-44H,8,10-16,18H2,1-7H3/t19-,20-,21-,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38-,40+,41+/m1/s1

InChIKey

BRAQGYOYQRQKSH-QDSGIGJGSA-N

Chemical Structure

2D Structure

CAS: 1800029-50-8

CID: 154804609

Formula: C41H62O15

MW: 794.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	794.9
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	794.40887127
Monoisotopic Mass	794.40887127
Topological Polar Surface Area	179 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1490
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
M32207-01	Cynanoside F
GTR19233685	Cynanoside J

Cynanoside F

Chemical Information

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