(Q104945140)

English

(1S,2S,4S,6S,9R,10S,11S,13R,14R,15S,16R,17R,18S)-8-ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,11-diol

chemical compound

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instance of

type of chemical entity

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subclass of

8-Ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,11-diol

1 reference

based on heuristic

inferred from SMILES

mass

391.235873156 dalton

1 reference

1 reference

C₂₂H₃₃NO₅

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canonical SMILES

OC1CC2OC32CN(CC)C4C5CC3C14C6CC7C(OC)CC5(O)C6C7OC

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isomeric SMILES

CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC

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found in taxon

Aconitum karakolicum

1 reference

stated in

Alkaloids of the epigeal part ofAconitum karakolicum

Identifiers

InChI

InChI=1S/C22H33NO5/c1-4-23-9-21-14-6-12-19(23)22(14,15(24)7-16(21)28-21)11-5-10-13(26-2)8-20(12,25)17(11)18(10)27-3/h10-19,24-25H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15+,16+,17-,18+,19-,20+,21-,22-/m1/s1

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InChIKey

BSBCHFAQVMPCHU-JUPMKXFOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BSBCHFAQVMPCHU-JUPMKXFOSA-N

(Q104945140)

(1S,2S,4S,6S,9R,10S,11S,13R,14R,15S,16R,17R,18S)-8-ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,11-diol

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Identifiers

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