(Q105274907)

English

(1S,5R,8R,9R,11R,14S,17S,18S)-12-[[4-[2-(dimethylamino)ethyl]phenoxy]methyl]-5-methyl-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadeca-6,12-dien-9-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12-[[4-[2-(Dimethylamino)ethyl]phenoxy]methyl]-5-methyl-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadeca-6,12-dien-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

460.30897852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀N₂O₂

0 references

canonical SMILES

OC12CC3C(=CC42CCC5C6(C=NC1C5(CCC6)C4C3)C)COC7=CC=C(C=C7)CCN(C)C

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isomeric SMILES

CN(C)CCc1ccc(OCC2=C[C@]34CC[C@H]5[C@]67CCC[C@@]5(C)C=N[C@H]6[C@@]3(O)C[C@H]2C[C@@H]74)cc1

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found in taxon

Aconitum naviculare

1 reference

stated in

A new diterpenoid alkaloid from a Tibetan medicinal herb Aconitum naviculare Stapf

Identifiers

InChI

InChI=1S/C30H40N2O2/c1-27-11-4-12-29-24(27)9-13-28-16-22(18-34-23-7-5-20(6-8-23)10-14-32(2)3)21(15-25(28)29)17-30(28,33)26(29)31-19-27/h5-8,16,19,21,24-26,33H,4,9-15,17-18H2,1-3H3/t21-,24-,25-,26-,27+,28+,29+,30+/m1/s1

0 references

InChIKey

UKUFQEHTYPWMEE-NJBGYCDJSA-N

0 references

PubChem CID

163188626

1 reference

matched by identifier from

InChIKey

UKUFQEHTYPWMEE-NJBGYCDJSA-N

(Q105274907)

(1S,5R,8R,9R,11R,14S,17S,18S)-12-[[4-[2-(dimethylamino)ethyl]phenoxy]methyl]-5-methyl-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadeca-6,12-dien-9-ol

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Identifiers

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