Delta 9-Tetrahydrocannabinol

CAT: 1596-AR-C05432-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05432-01Size:10 Units

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CAS Number

1972-08-3

Synonyms

(6aR,10aR) -6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

Molecular Formula

C21H30O2

Molecular Weight

314.5

API Name

Cannabidiol

Chemical Information

Tetrahydrocannabinol

delta-9-Tetrahydrocannabinol (Δ9-THC) can cause developmental toxicity according to an independent committee of scientific and health experts.

CAS Number	1972-08-3
PubChem CID	16078
IUPAC Name	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular Formula	C21H30O2
Molecular Weight	314.5
XLogP	7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	439

SMILES

CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1

InChIKey

CYQFCXCEBYINGO-IAGOWNOFSA-N

Chemical Structure

2D Structure

CAS: 1972-08-3

CID: 16078

Formula: C21H30O2

MW: 314.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.5
XLogP3	7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	314.224580195
Monoisotopic Mass	314.224580195
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	439
Isotope Atom Count	0
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
AR-C05383-01	Delta 9-Tetrahydrocannabinolic Acid
AR-C05382-01	Tetrahydrocannabinol
AR-C05956-01	Delta-9-Tetrahydrocannabivarinic Acid
AR-T06286-01	Delta 9 (11) Testosterone Cypionate
AR-E01977-01	Delta-9,11-Dehydro Estrone
AR-T04577-01	Delta 9 (11) -Testosterone Enanthate
AR-E01923-01	Delta-9-17-alpha-Estradiol
AR-F01738-01	Delta-9 (11) -Fluorometholone Acetate
AR-E01969-01	Delta-8,9-Dehydro Estrone
AR-E01909-01	Delta-9 (11) -Estradiol-d3

Catalog	Name
CS-O-62332	Delta-9-Tetrahydrocannabinol
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900168BA	THC (Delta-9-tetrahydrocannabinol) -KLH
136720	Tetrahydrocannabinol, Delta 9 (THC) discontinued
900168KH	THC (Delta-9-tetrahydrocannabinol) -BSA
CS-O-51261	11-Hydroxy-delta (9) -Tetrahydrocannabinol-d3
T2970-15A	Tetrahydrocannabinol, Delta 9 (THC) (BSA) discontinued
770082	THC (Delta-9-tetrahydrocannabinol) ELISA Kit
FT00108-01	Delta-9-Tetrahydrocannabinol - 50 mg/ml solution in methanol
FT28083	Delta-9-Tetrahydrocannabinol - 50 mg/ml solution in ethanol