rac Zearalanone-d6

CAT: 0572-TRC-Z270442-0.25MGSize: 0.25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-Z270442-0.25MGSize:0.25 mg

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

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CAS Number

1795020-90-4

Synonyms

3,4,5,6,9,10,11,12-Octahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione-d6; (RS)-Zearalanone-d6; (±)-Zearalanone-d6; DL-Zearalanone-d6; (±)-3,4,5,6,9,10,11,12-Octahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione-d6;

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

O=C(C1=C(O)C=C(O)C=C1CCCCC2)OC([2H])(C([2H])([2H])[2H])C([2H])([2H])CCC2=O

Molecular Formula

C18H18D6O5

Molecular Weight

326.42

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

rac Zearalanone-d6

CAS Number	1795020-90-4
PubChem CID	71753014
IUPAC Name	4,5,5-trideuterio-16,18-dihydroxy-4-(trideuteriomethyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
Molecular Formula	C18H24O5
Molecular Weight	326.4
XLogP	3.9
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	408

SMILES

[2H]C1(CCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)OC1([2H])C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/i1D3,6D2,12D

InChIKey

APJDQUGPCJRQRJ-ZJAMSSKDSA-N

Chemical Structure

2D Structure

CAS: 1795020-90-4

CID: 71753014

Formula: C18H24O5

MW: 326.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	326.20003434
Monoisotopic Mass	326.20003434
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	408
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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022947	Rac Zearalanone-d6
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022948	S-Zearalanone
MBS6058274-01	(S)-Zearalanone
sc-473959	Rac Zearalanone
80-1324	Zearalanone-HRP
HY-N6678R	Zearalanone (Standard)
MSS2003-01	Pribolab® Zearalanone

rac Zearalanone-d6

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