(Q105387180)

English

methyl (1R,4S,5S,8R,9S,10S)-5,9-dimethyl-3-oxo-7-azahexacyclo[11.5.1.17,10.01,9.04,8.016,19]icosa-13(19),16-diene-17-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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mass

367.214743788 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₉NO₃

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canonical SMILES

O=C(OC)C1=C2C3=C(CC2)CCC4CN5CC(C)C6C(=O)CC3(C1)C4(C)C56

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isomeric SMILES

COC(=O)C1=C2CCC3=C2[C@]2(CC(=O)[C@H]4[C@H](C)CN5C[C@@H](CC3)[C@]2(C)[C@@H]45)C1

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found in taxon

Daphniphyllum paxianum

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stated in

Daphnipaxianines A-D, alkaloids from Daphniphyllum paxianum

Daphniphyllum subverticillatum

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stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Daphniphyllum longeracemosum

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stated in

Alkaloids from Daphniphyllum longeracemosum.

Identifiers

InChI

InChI=1S/C23H29NO3/c1-12-10-24-11-14-6-4-13-5-7-15-16(21(26)27-3)8-23(19(13)15)9-17(25)18(12)20(24)22(14,23)2/h12,14,18,20H,4-11H2,1-3H3/t12-,14-,18-,20-,22-,23-/m1/s1

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InChIKey

ZZXVVDFMOPWZCH-GTJBECDPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZZXVVDFMOPWZCH-GTJBECDPSA-N

(Q105387180)

methyl (1R,4S,5S,8R,9S,10S)-5,9-dimethyl-3-oxo-7-azahexacyclo[11.5.1.17,10.01,9.04,8.016,19]icosa-13(19),16-diene-17-carboxylate

Statements

Identifiers

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