Uhdoside A

CAT: 0013-GTR19231559-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231559-01Size:1 mg

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Description

Uhdoside A (CAS 150044-49-8) is a natural product suitable for use as an analytical reference standard. It is utilized in research applications, including in vitro studies investigating its biological activities within natural product and phytochemistry fields.

CAS Number

150044-49-8

Smiles

[H][C@@]12CC (=O) OCCc3ccc (Oc4cc (CCOC (=O) C1=CO[C@@H] (O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) \C2=C/C) ccc4O) cc3

Molecular Formula

C32H36O13

Molecular Weight

628.627

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

NCGC00347767-02_C32H36O13_6H-10,13-Etheno-19,15-metheno-3H,15H,23H-pyrano[3,4-c][1,7,14]trioxacycloheneicosin-6,23-dione, 4-ethylidene-3-(beta-D-glucopyranosyloxy)-4,4a,5,8,9,20,21-heptahydro-16-hydroxy-, (3S,4Z,4aS)-

(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione is a macrolide.

CAS Number	150044-49-8
PubChem CID	45359891
IUPAC Name	(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione
Molecular Formula	C32H36O13
Molecular Weight	628.6
XLogP	1.5
Topological Polar Surface Area	191
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	3
Heavy Atom Count	45
Formal Charge	0
Complexity	1070

SMILES

C/C=C\1/[C@@H]2CC(=O)OCCC3=CC=C(C=C3)OC4=C(C=CC(=C4)CCOC(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

InChI

InChI=1S/C32H36O13/c1-2-20-21-14-26(35)40-11-9-17-3-6-19(7-4-17)43-24-13-18(5-8-23(24)34)10-12-41-30(39)22(21)16-42-31(20)45-32-29(38)28(37)27(36)25(15-33)44-32/h2-8,13,16,21,25,27-29,31-34,36-38H,9-12,14-15H2,1H3/b20-2-/t21-,25+,27+,28-,29+,31-,32-/m0/s1

InChIKey

YRQNFHSTTZXQBU-HTVHDVGDSA-N

Chemical Structure

2D Structure

CAS: 150044-49-8

CID: 45359891

Formula: C32H36O13

MW: 628.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	628.6
XLogP3	1.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	3
Exact Mass	628.21559120
Monoisotopic Mass	628.21559120
Topological Polar Surface Area	191 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T125785-01	Uhdoside A

Uhdoside A

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