(Q105308005)

English

[(1R,2R,4S,5R,8S,11R,13R,14R,15S,17S,18R,20R)-12-ethyl-20-hydroxy-5-methyl-19-methylidene-10-oxa-12-azaheptacyclo[16.2.1.01,15.02,13.04,14.05,11.08,14]henicosan-17-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(12-Ethyl-20-hydroxy-5-methyl-19-methylidene-10-oxa-12-azaheptacyclo[16.2.1.01,15.02,13.04,14.05,11.08,14]henicosan-17-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

413.2566086 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₅NO₄

0 references

canonical SMILES

O=C(OC1CC2C3(CC1C(=C)C3O)C4CC5C6(C)CCC7COC6N(CC)C4C752)C

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isomeric SMILES

C=C1[C@H]2C[C@]3([C@@H](C[C@@H]2OC(C)=O)[C@]24[C@@H]5CC[C@]6(C)[C@H]2C[C@H]3[C@H]4N(CC)[C@@H]6OC5)[C@@H]1O

0 references

found in taxon

Aconitum japonicum

1 reference

stated in

Structures of secojesaconitine and subdesculine, two new diterpenoid alkaloids from Aconitum japonicum THUNB.

Identifiers

InChI

InChI=1S/C25H35NO4/c1-5-26-20-16-8-18-23(4)7-6-14(11-29-22(23)26)25(18,20)19-9-17(30-13(3)27)15-10-24(16,19)21(28)12(15)2/h14-22,28H,2,5-11H2,1,3-4H3/t14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24+,25+/m1/s1

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InChIKey

WLJTWHMJXOXZAE-GDWLPQDWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WLJTWHMJXOXZAE-GDWLPQDWSA-N

(Q105308005)

[(1R,2R,4S,5R,8S,11R,13R,14R,15S,17S,18R,20R)-12-ethyl-20-hydroxy-5-methyl-19-methylidene-10-oxa-12-azaheptacyclo[16.2.1.01,15.02,13.04,14.05,11.08,14]henicosan-17-yl] acetate

Statements

Identifiers

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