(Q105151630)

English

(1S,2R,4S,5R,8S,10R,12R,13R,14R,15S,16R,18R)-11-ethyl-5-methyl-17-methylidene-9-oxa-11-azaheptacyclo[14.2.2.01,14.02,12.04,13.05,10.08,13]icosane-15,18-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

357.230393852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₁NO₃

0 references

canonical SMILES

OC1C(=C)C2CCC13C4CC5C6(C)CCC7OC6N(CC)C4C75C3C2O

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isomeric SMILES

C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H]6O[C@H]5N(CC)[C@H]1[C@@]64[C@@H]3[C@H]2O

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found in taxon

Aconitum kirinense

1 reference

stated in

Diterpene alkaloids from Aconitum kirinense

Identifiers

InChI

InChI=1S/C22H31NO3/c1-4-23-17-12-9-13-20(3)7-6-14(26-19(20)23)22(13,17)16-15(24)11-5-8-21(12,16)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21+,22-/m1/s1

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InChIKey

LGYIBDCNMQHCDV-VEZCHLSISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGYIBDCNMQHCDV-VEZCHLSISA-N

(Q105151630)

(1S,2R,4S,5R,8S,10R,12R,13R,14R,15S,16R,18R)-11-ethyl-5-methyl-17-methylidene-9-oxa-11-azaheptacyclo[14.2.2.01,14.02,12.04,13.05,10.08,13]icosane-15,18-diol

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Identifiers

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