(Q104396129)

English

(2R,3R,4S,5S,6S,8R,13S,16S,17R,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol

group of stereoisomers with the chemical formula C₂₅H₄₁NO₆

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Statements

instance of

group of stereoisomers

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subclass of

(2R,3R,6S,8R,13S,17R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol

1 reference

based on heuristic

inferred from SMILES

mass

451.293388032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₁NO₆

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canonical SMILES

OC1C2CC3C1C(O)(CC2OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6

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isomeric SMILES

CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O

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found in taxon

Aconitum volubile

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stated in

The Diterpenoid Alkaloids from Aconitum napellus

Aconitum napellus

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stated in

Norditerpenoid alkaloids from Aconitum vulparia subsp. Neapolitanum

Aconitum geniculatum

1 reference

stated in

Diterpene alkaloids from Aconitum kirinense

Identifiers

InChI

InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18?,19+,20+,21-,22?,23+,24-,25?/m1/s1

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InChIKey

DBODJJZRZFZBBD-WDTQSPAGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DBODJJZRZFZBBD-WDTQSPAGSA-N

1 reference

0 references

(Q104396129)

(2R,3R,4S,5S,6S,8R,13S,16S,17R,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol

Statements

Identifiers

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