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Uhdoside A

CAT: 0013-GTR19231559-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231559-02Size:2 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 Number150044-49-8
PubChem CID45359891
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 FormulaC32H36O13
Molecular Weight628.6
XLogP1.5
Topological Polar Surface Area191
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Heavy Atom Count45
Formal Charge0
Complexity1070
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
2D structure of 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)-
CAS: 150044-49-8
CID: 45359891
Formula: C32H36O13
MW: 628.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.6
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Exact Mass628.21559120
Monoisotopic Mass628.21559120
Topological Polar Surface Area191 Ų
Heavy Atom Count45
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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