(Q105298770)

English

methyl 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

group of stereoisomers with the chemical formula C₂₇H₃₀N₂O₉

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Statements

instance of

group of stereoisomers

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subclass of

beta-carboline alkaloid

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inferred from

beta-carboline alkaloid

mass

526.19513054 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀N₂O₉

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3=NC=CC=4C=5C=CC=CC5NC34

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isomeric SMILES

C=CC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)C1Cc1nccc2c1[nH]c1ccccc12

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found in taxon

Chimarrhis turbinata

1 reference

stated in

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

Ochrosia moorei

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stated in

Alkaloids from the Australian rainforest tree Ochrosia moorei

stated in

Alkaloids from the Australian rainforest tree Ochrosia moorei

Strychnos mellodora

1 reference

stated in

β-Carboline glucoalkaloids from Strychnos mellodora

Identifiers

InChI

InChI=1S/C27H30N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-9,12-13,16,20,22-24,26-27,29-33H,1,10-11H2,2H3/t13?,16?,20-,22-,23+,24-,26?,27+/m1/s1

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InChIKey

VXUXCAXVQWIEMN-AXAZIGGNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VXUXCAXVQWIEMN-AXAZIGGNSA-N

1 reference

(Q105298770)

methyl 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Statements

Identifiers

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