Dihydro artemisinin-d3

CAT: 0926-BHA77498-01Size: 0.5 mgDry Ice: NoHazardous: No

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CAT#:0926-BHA77498-01Size:0.5 mg

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CAS Number

176774-98-4

Smiles

CC1CCC2C (C (OC3C24C1CCC (O3) (OO4) C) O) C

Molecular Formula

C15H24O5

Molecular Weight

287.37 g/mol

Controlled

Chemical Information

Dihydro Artemisinin-d3

CAS Number	176774-98-4
PubChem CID	57369467
IUPAC Name	(1R,4S,5R,8S,9R,10S,12R,13R)-1,5-dimethyl-9-(trideuteriomethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol
Molecular Formula	C15H24O5
Molecular Weight	287.37
XLogP	2.5
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	415

SMILES

[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@@H]1O)O[C@@](CC3)(OO4)C)C

InChI

InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1/i2D3

InChIKey

BJDCWCLMFKKGEE-MPBQXAAISA-N

Chemical Structure

2D Structure

CAS: 176774-98-4

CID: 57369467

Formula: C15H24O5

MW: 287.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.37
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	287.18120410
Monoisotopic Mass	287.18120410
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	415
Isotope Atom Count	3
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YHA81795-01	Dihydro artemisinin tetrahydrofuran acetate
BFA64161-01	3-Hydroxy deoxy dihydro artemisinin
FA09640-01	Artemisinin
WZB81862-01	Dihydro nicotyrine-d3
FD21041-01	Deoxy artemisinin
FE22717-01	9-epi-Artemisinin
DAA29496-01	3-Deshydroxy-4,5-dihydro-3-oxo temazepam-13C, d3
HYB38447-01	1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamide-d3
XV184544-01	Vitamin D3-d3
SYB68355-01	Danofloxacin d3 (methyl d3)

Catalog	Name
009665	Dihydro Artemisinin-d3
TRC-H934952-2.5MG	3-Hydroxy Deoxy Dihydro Artemisinin-d3
D448360	Dihydro Artemisinin
446948	Dihydro Artemisinin β-D-Glucuronide (Mixture of Isomers) -D3
MBS5786818	Anhydro Dihydro Artemisinin
163828	Dihydro Artemisinin Dimer
AR-A02573-01	Dihydro Artemisinin (a, ? Mixture)
TRC-D448372-25MG	Dihydro Artemisinin beta-D-Glucuronide (Mixture of Isomers)-D3
D465985	Dihydro Artemisinin-13C,d5
TRC-D448363-10MG	Dihydro Artemisinin-13C,d4