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Screening compounds

Cannabicitran

Also known as Citrylidenecannabis, Cannabicitran (nflis-drug), 1,9-EPOXY-6H-DIBENZO(B,D)PYRAN, 6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6Aalpha,9beta,10Aalpha)-

CAS 31508-71-1Formula C21H30O2Molar mass 314.47 g/molEC 899-359-1
GHS signal word: Warning. Pictograms: Harmful or irritant
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Cannabicitran chemical structure, C21H30O2, CAS 31508-71-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
31508-71-1
Formula
C21H30O2
Molar mass
314.47 g/mol
EC number
899-359-1
HS code
293299
Category
Screening compounds

What is Cannabicitran?

Plain description, key identifiers and synonyms

cannabicitran has been reported in Cannabis sativa.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4S,13R)-1,5,5-trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-triene
CAS number
31508-71-1
EC number
899-359-1
Molecular formula
C21H30O2
UNII
2I99OU7Q1I
InChIKey
IXJXRDCCQRZSDV-VWKPWSFCSA-N
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/t15-,16+,21-/m1/s1
Canonical SMILES
CCCCCc1cc2c3c(c1)OC(C)(C)C1CCC(C)(CC31)O2
Isomeric SMILES
CCCCCC1=CC2=C3[C@@H]4C[C@@](CC[C@@H]4C(O2)(C)C)(OC3=C1)C

Synonyms

  • Citrylidenecannabis
  • Cannabicitran (nflis-drug)
  • 1,9-EPOXY-6H-DIBENZO(B,D)PYRAN, 6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6Aalpha,9beta,10Aalpha)-
  • 2,4-ETHANO-2H-PYRANO(4,3,2-DE)-1-BENZOPYRAN, 3,3A,4,5-TETRAHYDRO-2,5,5-TRIMETHYL-8-PENTYL-, (2alpha,3Abeta,4alpha)-
  • R21AT012695-Cannabinoid-011
  • 1,9-Epoxy-6H-dibenzo(b,d)pyran, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6a.alpha.,9beta,10a.alpha.)-
  • 2,4-Ethano-2H-pyrano(4,3,2-de)-1-benzopyran, 3,3a,4,5-tetrahydro-2,5,5-trimethyl-8-pentyl-, (2alpha,3a.beta.,4.alpha.)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
314.47 g/molcalc.
Exact mass
314.2246 Dacalc.
LogP (octanol/water)
5.63calc.
Topological polar surface area
18.46 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cc2c3c(c1)OC1CCC(CO2)C3C1

c1cc2c3c(c1)OC1CCC(CO2)C3C1

4 rings, 15 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Cannabicitran suppliers

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Cannabicitran price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cannabicitran is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cannabicitran is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cannabicitran, based on the data on this page

What is Cannabicitran?

cannabicitran has been reported in Cannabis sativa.

What is the CAS number of Cannabicitran?

The CAS registry number of Cannabicitran is 31508-71-1.

What is the molecular formula and weight of Cannabicitran?

The molecular formula of Cannabicitran is C21H30O2 and its molar mass is 314.47 g/mol.

What is Cannabicitran used for?

Known uses and roles of Cannabicitran include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cannabicitran hazardous?

Cannabicitran carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cannabicitran?

Cannabicitran is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cannabicitran?

Post a free request on CompoundList and suppliers of Cannabicitran will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cannabicitran?

Suppliers quote Cannabicitran on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Cannabicitran

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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