(Q105192201)

English

methyl (1S,2S,3R,5R,6S,8R,10S)-2,6-dimethyl-8-oxido-21-oxo-14-oxa-8-azoniahexacyclo[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

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

1 reference

based on heuristic

inferred from SMILES

mass

399.204573028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₉NO₅

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canonical SMILES

O=C(OC)C1=C2C3=C(OCC2)CCC4C[N+]5([O-])CC(C)C6C(=O)C3(C1)C4(C)C5C6

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isomeric SMILES

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

0 references

found in taxon

Daphniphyllum subverticillatum

1 reference

stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Identifiers

InChI

InChI=1S/C23H29NO5/c1-12-10-24(27)11-13-4-5-17-19-14(6-7-29-17)16(21(26)28-3)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+,24-/m1/s1

0 references

InChIKey

OHPSOIUFKKLGIW-AWVORQCJSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

OHPSOIUFKKLGIW-AWVORQCJSA-N

1 reference

(Q105192201)

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

Statements

Identifiers

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