(Q105173706)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aconitane alkaloid

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mass

465.272652588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

(+)-14-Dehydrobrowniine

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₉NO₇

0 references

canonical SMILES

O=C1C2CC3C1C(O)(CC2OC)C4(O)C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6

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isomeric SMILES

CCN1C[C@]2(COC)CC[C@@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1C2=O

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found in taxon

Delphinium biternatum

1 reference

stated in

Alkaloids of Delphinium biternatum

Delphinium cardinale

1 reference

stated in

DELPHINIUM ALKALOIDS THE STRUCTURES OF THE ALKALOIDS OF DELPHINIUM CARDINALE HOOK AND THE ALKALOID DELATINE

Delphinium majus

1 reference

stated in

Diterpenoid Alkaloids from Delphinium majus

Identifiers

InChI

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

0 references

InChIKey

MWOQLGAENOKSHS-HNUYGTDJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MWOQLGAENOKSHS-HNUYGTDJSA-N

(Q105173706)

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

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Identifiers

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