(Q105377649)

English

3-[(2S,3S,8S,11S,12S,15R,16S)-12,16-dimethyl-1-azapentacyclo[9.6.1.02,15.03,12.04,8]octadec-4-en-3-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-(12,16-Dimethyl-1-azapentacyclo[9.6.1.02,15.03,12.04,8]octadec-4-en-3-yl)propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

343.251129296 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₃NO₂

0 references

canonical SMILES

O=C(O)CCC12C3=CCCC3CCC4CN5CC(C)C(CCC41C)C52

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isomeric SMILES

C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@@H]1CC[C@@]34C

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found in taxon

Daphniphyllum calycinum

1 reference

stated in

Caldaphnidines A–F, six new Daphniphyllum alkaloids from Daphniphyllum calycinum

Identifiers

InChI

InChI=1S/C22H33NO2/c1-14-12-23-13-16-7-6-15-4-3-5-18(15)22(11-9-19(24)25)20(23)17(14)8-10-21(16,22)2/h5,14-17,20H,3-4,6-13H2,1-2H3,(H,24,25)/t14-,15+,16-,17-,20+,21+,22+/m1/s1

0 references

InChIKey

ZIXNWOVXWUYDLX-IIJHBXAKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZIXNWOVXWUYDLX-IIJHBXAKSA-N

(Q105377649)

3-[(2S,3S,8S,11S,12S,15R,16S)-12,16-dimethyl-1-azapentacyclo[9.6.1.02,15.03,12.04,8]octadec-4-en-3-yl]propanoic acid

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Identifiers

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