(Q105249763)

English

2-[(6aS,7R,10aR)-2-ethenyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-7-yl]-4-[2-(dimethylamino)ethyl]phenol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[2-(Dimethylamino)ethyl]-2-(2-ethenyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-7-yl)phenol

1 reference

based on heuristic

inferred from SMILES

mass

417.26677936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(6aR,7S,10aR)-2-ethenyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-7-yl]-4-[2-(dimethylamino)ethyl]phenol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₅NO₂

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canonical SMILES

OC1=CC=C(C=C1C2C=C(C)CC3C4=CC(C=C)=CC=C4OC(C)(C)C23)CCN(C)C

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isomeric SMILES

C=Cc1ccc2c(c1)[C@@H]1CC(C)=C[C@@H](c3cc(CCN(C)C)ccc3O)[C@H]1C(C)(C)O2

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found in taxon

Zanthoxylum integrifoliolum

1 reference

stated in

Bishordeninyl Terpene Alkaloids fromZanthoxylum Integrifoliolum

Identifiers

InChI

InChI=1S/C28H35NO2/c1-7-19-9-11-26-22(16-19)24-15-18(2)14-23(27(24)28(3,4)31-26)21-17-20(8-10-25(21)30)12-13-29(5)6/h7-11,14,16-17,23-24,27,30H,1,12-13,15H2,2-6H3/t23-,24-,27+/m0/s1

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InChIKey

SBXAMKRXWQKDBV-NLJOTIRTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBXAMKRXWQKDBV-NLJOTIRTSA-N

1 reference

(Q105249763)

2-[(6aS,7R,10aR)-2-ethenyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-7-yl]-4-[2-(dimethylamino)ethyl]phenol

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