Hexahydrocannabinol

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O2
Molecular Weight	316.4776
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Hexahydrocannabinol

Structure Search

SMILES

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

InChI

InChIKey=XKRHRBJLCLXSGE-USXIJHARSA-N

InChI=1S/C21H32O2/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/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O2
Molecular Weight	316.4776
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:04:14 GMT 2025` Edited by `admin` on `Wed Apr 02 12:04:14 GMT 2025`
Record UNII	D4K2ZLP4DT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

9S-HHC

Preferred Name

English

Hexahydrocannabinol

Common Name

English

6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,9S,10aR)-

Systematic Name

English

(6aR,9S,10aR)-6a,7,8,9,10,10a-Hexahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol

Systematic Name

English

Code System Code Type Description

SMS_ID

300000048137

Created by admin on Wed Apr 02 12:04:14 GMT 2025 , Edited by admin on Wed Apr 02 12:04:14 GMT 2025

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CAS

36403-91-5

Created by admin on Wed Apr 02 12:04:14 GMT 2025 , Edited by admin on Wed Apr 02 12:04:14 GMT 2025

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EPA CompTox

DTXSID701348622

Created by admin on Wed Apr 02 12:04:14 GMT 2025 , Edited by admin on Wed Apr 02 12:04:14 GMT 2025

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FDA UNII

D4K2ZLP4DT

Created by admin on Wed Apr 02 12:04:14 GMT 2025 , Edited by admin on Wed Apr 02 12:04:14 GMT 2025

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DAILYMED

D4K2ZLP4DT

Created by admin on Wed Apr 02 12:04:14 GMT 2025 , Edited by admin on Wed Apr 02 12:04:14 GMT 2025

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PUBCHEM

14378541

Created by admin on Wed Apr 02 12:04:14 GMT 2025 , Edited by admin on Wed Apr 02 12:04:14 GMT 2025

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