(Q104398885)

English

methyl (E)-2-[(2S,3S,4S,12bS)-3-ethenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-[3-ethenyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

530.226430668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (Z)-2-[(2S,3S,4S,12bS)-3-ethenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₇H₃₄N₂O₉

0 references

canonical SMILES

O=C(OC)C(=CO)C1CC2C=3NC=4C=CC=CC4C3CCN2C(OC5OC(CO)C(O)C(O)C5O)C1C=C

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isomeric SMILES

C=C[C@H]1[C@@H](/C(=C\O)C(=O)OC)C[C@H]2c3[nH]c4ccccc4c3CCN2[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Chimarrhis turbinata

3 references

stated in

Indole glucoalkaloids from Chimarrhis turbinata and their evaluation as antioxidant agents and acetylcholinesterase inhibitors

stated in

Indole monoterpene alkaloids from Chimarrhis turbinata DC Prodr.: a contribution to the chemotaxonomic studies of the Rubiaceae family

stated in

Turbinatine, a potential key intermediate in the biosynthesis of corynanthean-type indole alkaloids

Identifiers

InChI

InChI=1S/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11+/t13-,16-,19-,20+,22+,23-,24+,25-,27-/m0/s1

0 references

InChIKey

XAYUCVICBPYPRE-FAFAPQDASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XAYUCVICBPYPRE-FAFAPQDASA-N

1 reference

(Q104398885)

methyl (E)-2-[(2S,3S,4S,12bS)-3-ethenyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate

Statements

Identifiers

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