(Q110185543)

English

methyl (1S,2S,3R,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁷,²⁰]henicosa-13(20),17-diene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.11,5.02,10.03,8.017,20]henicosa-13(20),17-diene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

383.209658408 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,2S,3R,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.11,5.02,10.03,8.017,20]henicosa-13(20),17-diene-18-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₉NO₄

0 references

canonical SMILES

O=C(OC)C1=C2C3=C(OCC2)CCC4CN5CC(C)C6C(=O)C3(C1)C4(C)C5C6

0 references

isomeric SMILES

COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@H]4N(C[C@H]1C)C[C@@H](CC3)[C@]42C

0 references

found in taxon

Daphniphyllum subverticillatum

1 reference

stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Identifiers

InChI

InChI=1S/C23H29NO4/c1-12-10-24-11-13-4-5-17-19-14(6-7-28-17)16(21(26)27-3)9-23(19)20(25)15(12)8-18(24)22(13,23)2/h12-13,15,18H,4-11H2,1-3H3/t12-,13-,15-,18-,22-,23+/m1/s1

0 references

InChIKey

TVYCEKHYHLUROK-DCLOCNOKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

NMRShiftDB structure ID

21948

1 reference

matched by identifier from

InChIKey

TVYCEKHYHLUROK-DCLOCNOKSA-N

(Q110185543)

methyl (1S,2S,3R,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.1¹,⁵.0²,¹⁰.0³,⁸.0¹⁷,²⁰]henicosa-13(20),17-diene-18-carboxylate

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