Cannabicitran

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Systematic / IUPAC Name: 1,5,5-Trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13 07,12]pentadeca-7,9,11-triene

ID: Reference6502

Other Names: (6aR,9R,10aS)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-1,9-epoxybenzo[c]chromene ;
1,9-Epoxy-6H-dibenzo[b,d]pyran, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-;
Citrylidenecannabis ;
CBT

Formula: C21H30O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs Endogenous Metabolites

Spectral Data

Cannabicitran mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 227
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2018 12:57:16 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3
InChI Key IXJXRDCCQRZSDV-UHFFFAOYSA-N
Canonical SMILES CCCCCC1=CC2=C3C4CC(O2)(CCC4C(OC3=C1)(C)C)C
CAS 31508711
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Other Names (6aR,9R,10aS)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-1,9-epoxybenzo[c]chromene ;
1,9-Epoxy-6H-dibenzo[b,d]pyran, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-;
Citrylidenecannabis ;
CBT

In Other Databases

PubChem 59444393
ChemSpider 28590031