(Q105213140)

English

(3aR,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-ol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

289.167793596 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₃NO₃

0 references

canonical SMILES

OC1C=CC2(C3=CC=C(OC)C(OC)=C3)CCN(C)C2C1

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isomeric SMILES

COc1ccc([C@@]23C=C[C@H](O)C[C@@H]2N(C)CC3)cc1OC

0 references

found in taxon

Mesembryanthemum tortuosum

3 references

stated in

Isolation of Sceletium alkaloids by high-speed countercurrent chromatography

stated in

In vitro permeation of mesembrine alkaloids from Sceletium tortuosum across porcine buccal, sublingual, and intestinal mucosa.

stated in

An investigation of the in vitro transport of Sceletium tortuosum alkaloids across porcine buccal, sublingual and intestinal membranes

Identifiers

InChI

InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,13,16,19H,8-9,11H2,1-3H3/t13-,16-,17-/m0/s1

0 references

InChIKey

PQBHZMSTECYZLH-JQFCIGGWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PQBHZMSTECYZLH-JQFCIGGWSA-N

(Q105213140)

(3aR,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-ol

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