(Q105244450)

English

[(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-4,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[11-Ethyl-4,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

465.272652588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₉NO₇

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canonical SMILES

O=C(OC12CC(OC)C3CC(C1C3O)C45C(O)CCC6(COC)CN(CC)C5C2C(O)C64)C

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isomeric SMILES

CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6O)[C@@H]([C@H](O)[C@H]23)[C@@H]14

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found in taxon

Delphinium staphisagria

1 reference

stated in

The structure of delphidine, a diterpenoid alkaloid from Delphinium staphisagria

Staphisagria macrosperma

1 reference

stated in

The structure of delphidine, a diterpenoid alkaloid from Delphinium staphisagria

Identifiers

InChI

InChI=1S/C25H39NO7/c1-5-26-10-23(11-31-3)7-6-16(28)25-14-8-13-15(32-4)9-24(33-12(2)27,17(14)19(13)29)18(22(25)26)20(30)21(23)25/h13-22,28-30H,5-11H2,1-4H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24-,25+/m1/s1

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InChIKey

RRYLZZSYDRTJEL-XXYWQWTJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RRYLZZSYDRTJEL-XXYWQWTJSA-N

(Q105244450)

[(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-4,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

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Identifiers

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