(±) -11-Hydroxy-Δ9-thc-d3

CAT: 0926-MPA04474-02Size: 10 mLDry Ice: NoHazardous: No

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CAT#:0926-MPA04474-02Size:10 mL

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CAS Number

362044-74-4

Smiles

CCCCCC1=CC (=C2C3C=C (CCC3C (OC2=C1) (C) C) CO) O

Molecular Formula

C21H30O3

Molecular Weight

333.5 g/mol

Controlled

Yes

Chemical Information

(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

CAS Number	362044-74-4
PubChem CID	102320334
IUPAC Name	(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular Formula	C21H30O3
Molecular Weight	333.5
XLogP	5.7
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	456

SMILES

[2H]C([2H])([2H])CCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)CO)O

InChI

InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1/i1D3

InChIKey

YCBKSSAWEUDACY-MVOYJBSWSA-N

Chemical Structure

2D Structure

CAS: 362044-74-4

CID: 102320334

Formula: C21H30O3

MW: 333.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.5
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	333.23832505
Monoisotopic Mass	333.23832505
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	456
Isotope Atom Count	3
Defined Atom Stereocenter Count	2
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
LFA84496-01	(±) -11-Nor-9-carboxy-Δ9-thc-d3, 100ug/ml in methanol
FD180409-01	Delta.9-THC-d3 CRM
JBA67549	(±) -11-Hydroxy-9-THC methanol solution (1 mg/ml)
EEA87450-01	(±) -11-nor-9-Carboxy-9-THC solution
PBA69006-01	(−) -11-Nor-9-carboxy-Δ8-thc
SAA76602-01	(+) -Δ9-THC
GCA35406-01	(-) -11-Nor-9-carboxy-delta9-THC solution
GAA46530-01	(±) -Δ9-Thc solution
VDA72002-01	9 (S) -Δ6A,10a-thc
ULA66090-01	Hydroxy tyrosol-d3

Catalog	Name
HY-139429S	(−) -11-Hydroxy-Δ8-THC-d3
CS-R-00497	(+/-) -11-HYDROXY-DELTA-9 THC
469856-01	Δ9-THC-d3 discontinued
CS-O-51261	11-Hydroxy-delta (9) -Tetrahydrocannabinol-d3
411780-01	(+/-) -11-Hydroxy-∆9-Tetrahydrocannabinol-d3 discontinued
227181	THC (THC (9) ) (HRP)
sc-500797	(+) -11-Nor-Δ9-THC-9-carboxylic acid glucuronide
469858	Δ9-THC-d3 (1mg/ml in Methanol) discontinued
162470	9 (11) -Dehydromestranol-d3
TRC-D229877-50MG	9(11)-Dehydromestranol-d3