(Q105029918)

English

(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6S,8S)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

1 reference

based on heuristic

inferred from SMILES

(2R,3R,4S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

1 reference

1 reference

(1S,2R,3R,4S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

1 reference

based on heuristic

inferred from SMILES

mass

377.2566086 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₅NO₄

0 references

canonical SMILES

OC1CCC2(C)CN(CC)C3C4CC2C13C5CC6C(O)C5C4(O)CC6OC

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isomeric SMILES

CCN1C[C@@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O

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found in taxon

Aconitum karakolicum

1 reference

stated in

Alkaloids of the epigeal part ofAconitum karakolicum

Identifiers

InChI

InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20-,21+,22-/m1/s1

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InChIKey

HKQZUYOVMYOFIT-DSGMTPGBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HKQZUYOVMYOFIT-DSGMTPGBSA-N

(Q105029918)

(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

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Identifiers

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