(Q104990189)

English

Daphnicyclidin C

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

17,22-Dihydroxy-16,20-dimethyl-4-oxa-14-azahexacyclo[15.4.1.02,7.08,21.012,20.014,19]docosa-1(22),2(7),8(21)-triene-3,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

383.1732729 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(12S,16R,17S,19R,20S)-17,22-dihydroxy-16,20-dimethyl-4-oxa-14-azahexacyclo[15.4.1.0²,⁷.0⁸,²¹.0¹²,²⁰.0¹⁴,¹⁹]docosa-1(22),2(7),8(21)-triene-3,9-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₅NO₅

0 references

canonical SMILES

O=C1OCCC2=C1C3=C(O)C4(O)CC5N(CC4C)CC6CCC(=O)C2=C3C56C

0 references

isomeric SMILES

C[C@H]1CN2C[C@H]3CCC(=O)C4=C5C(=C(O)[C@]1(O)C[C@@H]2[C@]53C)C1=C4CCOC1=O

0 references

found in taxon

Daphniphyllum teijsmannii

1 reference

stated in

Daphnicyclidins A-H, novel hexa- or pentacyclic alkaloids from two species of Daphniphyllum

Identifiers

InChI

InChI=1S/C22H25NO5/c1-10-8-23-9-11-3-4-13(24)15-12-5-6-28-20(26)16(12)17-18(15)21(11,2)14(23)7-22(10,27)19(17)25/h10-11,14,25,27H,3-9H2,1-2H3/t10-,11+,14+,21+,22-/m0/s1

0 references

InChIKey

DVKSQGISDRUSQM-QYNMVJAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVKSQGISDRUSQM-QYNMVJAGSA-N

1 reference

(Q104990189)

Daphnicyclidin C

Statements

Identifiers

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