(Q105106461)

English

[(1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-yl] acetate

chemical compound

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type of chemical entity

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subclass of

mitraphylline-type alkaloid

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mass

398.184171932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆N₂O₅

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canonical SMILES

COc1ccc2c(c1)NC(=O)C21CCN2CC3C(C)OC=C(OC(C)=O)C3CC21

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isomeric SMILES

COc1ccc2c(c1)NC(=O)[C@@]21CCN2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]21

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1 reference

Identifiers

InChI

InChI=1S/C22H26N2O5/c1-12-16-10-24-7-6-22(17-5-4-14(27-3)8-18(17)23-21(22)26)20(24)9-15(16)19(11-28-12)29-13(2)25/h4-5,8,11-12,15-16,20H,6-7,9-10H2,1-3H3,(H,23,26)/t12-,15-,16-,20+,22-/m0/s1

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InChIKey

GFBRPLWLNZPYAL-LVSKTSOBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GFBRPLWLNZPYAL-LVSKTSOBSA-N

1 reference

(Q105106461)

[(1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-yl] acetate

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