(Q104254018)

English

(2S,3R)-((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

1 reference

1 reference

285.194008344 dalton

1 reference

2 references

inferred from InChIKey

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inferred from InChIKey

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inferred from InChIKey

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inferred from InChIKey

1 reference

1 reference

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl ester, (2R,3S)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₇NO₄

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canonical SMILES

O=C(OCC1CCN2CCCC21)C(O)(C(O)C)C(C)C

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isomeric SMILES

CC(C)[C@@](O)(C(=O)OC[C@@H]1CCN2CCC[C@@H]12)[C@@H](C)O

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found in taxon

Eupatorium cannabinum

1 reference

stated in

Investigation into the Presence of Pyrrolizidine Alkaloids in Eupatorium cannabinum by Means of Positive and Negative Ion Chemical Ionization GC-MS.

Amsinckia spectabilis

1 reference

stated in

Pyrrolizidine alkaloid chemosystematics in Amsinckia

Cynoglossum creticum

1 reference

stated in

Pyrrolizidine alkaloids from Cynoglossum creticum

Trachelanthus korolkowii

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stated in

An investigation of the alkaloid content of some Central Asian plants

Amsinckia tessellata var. gloriosa

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stated in

Pyrrolizidine alkaloids from Amsinckia

Eupatorium fortunei

1 reference

stated in

Lindelofine and supinine: pyrrolizidine alkaloids from Eupatorium stoechadosmum

Heliotropium curassavicum var. obovatum

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stated in

Pyrrolizidine alkaloids of Heliotropium spathulatum

Praxelis clematidea

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stated in

Pyrrolizidine alkaloids of the lycopsamine type: biosynthesis of trachelanthic acid

Rindera echinata

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stated in

Alkaloids ofRindera cyclodonta, R. echinata, andHeliotropium dasycarpum

Identifiers

InChI

InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15+/m1/s1

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InChIKey

BWQSLRZZOVFVHJ-OSFYFWSMSA-N

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CAS Registry Number

14140-18-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWQSLRZZOVFVHJ-OSFYFWSMSA-N

1 reference

(Q104254018)

(2S,3R)-((1R,7aS)-hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate

Statements

Identifiers

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