(Q105036056)

English

1-O-[(1S,8R)-7-[[(2S,3S)-2-ethyl-2,3-dihydroxybutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 4-O-methyl (2R)-2-hydroxy-2-propan-2-ylbutanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-O-[7-[(2-ethyl-2,3-dihydroxybutanoyl)oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 4-O-methyl 2-hydroxy-2-propan-2-ylbutanedioate

1 reference

based on heuristic

inferred from SMILES

mass

457.2311817 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₅NO₉

0 references

canonical SMILES

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

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isomeric SMILES

CC[C@@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)[C@@](O)(CC(=O)OC)C(C)C)[C@@H]12)[C@H](C)O

0 references

found in taxon

Parsonsia alboflavescens

1 reference

stated in

Pyrrolizidine Alkaloids from Parsonsia laevigata in Okinawa Island (Studies on Parsonsia. V).

Identifiers

InChI

InChI=1S/C22H35NO9/c1-6-21(28,14(4)24)19(26)31-12-15-7-9-23-10-8-16(18(15)23)32-20(27)22(29,13(2)3)11-17(25)30-5/h7,13-14,16,18,24,28-29H,6,8-12H2,1-5H3/t14-,16-,18+,21-,22+/m0/s1

0 references

InChIKey

IAEVLPFKOQLVMJ-KEUJJDECSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IAEVLPFKOQLVMJ-KEUJJDECSA-N

(Q105036056)

1-O-[(1S,8R)-7-[[(2S,3S)-2-ethyl-2,3-dihydroxybutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 4-O-methyl (2R)-2-hydroxy-2-propan-2-ylbutanedioate

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Identifiers

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