(Q105160851)

English

[(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate

1 reference

1 reference

491.32468816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₅NO₆

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canonical SMILES

O=C(OC1C2CC3C1C(OCC)(CC2OC)C4CC5C6(COC)CN(CC)C4C35C(OC)CC6)C

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isomeric SMILES

CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43

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found in taxon

Aconitum forrestii

1 reference

stated in

The Structures of Four New C19-Diterpenoid Alkaloids from Aconitum forrestii Stapf

Aconitum macrorhynchum

1 reference

stated in

Macrorhynines A and B, Two Novel Norditerpenoid Alkaloids fromAconitum macrorhynchum

Identifiers

InChI

InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1

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InChIKey

MBNBAHNWJUHSQR-GQIRAUAMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MBNBAHNWJUHSQR-GQIRAUAMSA-N

(Q105160851)

[(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

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Identifiers

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