(Q105275085)

English

(1S,2R,4S,5S,8R,10S,12S,13S,14R,16S,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

chemical compound

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instance of

type of chemical entity

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subclass of

11-Ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

1 reference

based on heuristic

inferred from SMILES

(2R,5S,8R,10S,12S,13S,14R,16S,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosane-16,19-diol

1 reference

based on heuristic

inferred from SMILES

(2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

1 reference

1 reference

357.230393852 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

1 reference

based on heuristic

inferred from InChI

(1R,2R,4S,5R,8S,10R,12S,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

1 reference

based on heuristic

inferred from InChI

(1R,2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₁NO₃

0 references

canonical SMILES

OC1C(=C)C2CC13C4CC5C6(C)CCC7OC6N(CC)C4C75C3CC2O

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isomeric SMILES

C=C1[C@H]2C[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@]46[C@@H]3C[C@@H]2O

0 references

found in taxon

Aconitum sachalinense

1 reference

stated in

Studies on Aconitum Species. XI. Two New Diterpenoid Alkaloids from Aconitum yesoense var. Macroyesoense (Nakai) Tamura V

Identifiers

InChI

InChI=1S/C22H31NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)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

0 references

InChIKey

ULFMQUVPNJZNKM-NEPALKIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ULFMQUVPNJZNKM-NEPALKIKSA-N

(Q105275085)

(1S,2R,4S,5S,8R,10S,12S,13S,14R,16S,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol

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