(Q104915055)

English

[(7R,8R)-7-(2,3-dimethylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-(2,3-dimethylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

395.230787776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₃NO₆

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canonical SMILES

O=C(OC1CCN2CC=C(COC(=O)C(O)(C(O)C)C(C)C)C21)C(=C(C)C)C

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isomeric SMILES

CC(C)=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@H]12

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found in taxon

Symphytum officinale

1 reference

stated in

Alkaloids and triterpenoids of Symphytum officinale

Identifiers

InChI

InChI=1S/C21H33NO6/c1-12(2)14(5)19(24)28-17-8-10-22-9-7-16(18(17)22)11-27-20(25)21(26,13(3)4)15(6)23/h7,13,15,17-18,23,26H,8-11H2,1-6H3/t15-,17+,18+,21+/m0/s1

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InChIKey

ANCBDTGNVGQPTA-NWUWZPLHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ANCBDTGNVGQPTA-NWUWZPLHSA-N

(Q104915055)

[(7R,8R)-7-(2,3-dimethylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

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