(Q105121829)

English

(1R,4S,8R,9R,14S,20R)-4-hydroxy-8-methyl-4,9-di(propan-2-yl)-2,7,12-trioxa-17-azatricyclo[12.5.1.017,20]icosane-3,6,11-trione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

macrolides

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pyrrolizidine alkaloid

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mass

439.257002524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₇NO₇

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canonical SMILES

O=C1OCC2CCN3CCC(OC(=O)C(O)(CC(=O)OC(C)C(C1)C(C)C)C(C)C)C32

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isomeric SMILES

CC(C)[C@H]1CC(=O)OC[C@H]2CCN3CC[C@@H](OC(=O)[C@@](O)(C(C)C)CC(=O)O[C@@H]1C)[C@@H]23

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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/C23H37NO7/c1-13(2)17-10-19(25)29-12-16-6-8-24-9-7-18(21(16)24)31-22(27)23(28,14(3)4)11-20(26)30-15(17)5/h13-18,21,28H,6-12H2,1-5H3/t15-,16-,17-,18-,21-,23+/m1/s1

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InChIKey

IWRWQFWNXAFSBO-PECIFMGASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IWRWQFWNXAFSBO-PECIFMGASA-N

1 reference

(Q105121829)

(1R,4S,8R,9R,14S,20R)-4-hydroxy-8-methyl-4,9-di(propan-2-yl)-2,7,12-trioxa-17-azatricyclo[12.5.1.017,20]icosane-3,6,11-trione

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Identifiers

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