(Q104999777)

English

(1R,2S,3S,5S,6R,8R,9S,11S,14S,16S,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-2,3,6,18-tetrol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2S,3S,5R,6R,9S,11S,16R,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,6,18-tetrol

1 reference

based on heuristic

inferred from SMILES

mass

345.194008344 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₇NO₄

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canonical SMILES

OC1CC2(C)C(O)N3C4CC56CC(=C)C7CC6C3C(C1O)(C42)C5(O)C7

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isomeric SMILES

C=C1C[C@]23C[C@H]4[C@@H]5[C@]6(C)C[C@H](O)[C@@H](O)[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@@H]6O

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found in taxon

Aconitum septentrionale

1 reference

stated in

Septentriosine--a New C20-Diterpenoid Alkaloid from Aconitum septentrionale

Aconitum lycoctonum

1 reference

stated in

Septentriosine--a New C20-Diterpenoid Alkaloid from Aconitum septentrionale

Identifiers

InChI

InChI=1S/C20H27NO4/c1-8-4-18-6-11-13-17(2)7-12(22)15(23)20(13)14(21(11)16(17)24)10(18)3-9(8)5-19(18,20)25/h9-16,22-25H,1,3-7H2,2H3/t9-,10+,11-,12-,13+,14+,15+,16+,17-,18-,19-,20+/m0/s1

0 references

InChIKey

FQPRSAQZPQSWKW-NZWBKAGASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FQPRSAQZPQSWKW-NZWBKAGASA-N

(Q104999777)

(1R,2S,3S,5S,6R,8R,9S,11S,14S,16S,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-2,3,6,18-tetrol

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