(Q105292145)

English

[(2E)-2-[(1R,6S,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate

chemical compound

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instance of

type of chemical entity

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423.189316888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₉NO₈

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canonical SMILES

O=C1OC2C(=O)C(=CCN(C)CC2)COC(=O)C(O)(C)C(C)CC1=CCOC(=O)C

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isomeric SMILES

CC(=O)OC/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O

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found in taxon

Packera anonyma

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stated in

Acetylanonamine, a New Secopyrrolizidine Alkaloid from Senecio anonymus

Identifiers

InChI

InChI=1S/C21H29NO8/c1-13-11-15(7-10-28-14(2)23)19(25)30-17-6-9-22(4)8-5-16(18(17)24)12-29-20(26)21(13,3)27/h5,7,13,17,27H,6,8-12H2,1-4H3/b15-7+,16-5-/t13-,17+,21+/m0/s1

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InChIKey

VSDQPXFTDJVJID-QQDLLWOVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSDQPXFTDJVJID-QQDLLWOVSA-N

1 reference

(Q105292145)

[(2E)-2-[(1R,6S,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate

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Identifiers

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