(Q105278515)

English

methyl (2S,12bS)-2-[(2R)-1-hydroxybut-3-en-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 2-(1-hydroxybut-3-en-2-yl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

530.226430668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄N₂O₉

0 references

canonical SMILES

O=C(OC)C1=CN2CCC=3C=4C(OC5OC(CO)C(O)C(O)C5O)=CC=CC4NC3C2CC1C(C=C)CO

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isomeric SMILES

C=C[C@@H](CO)[C@@H]1C[C@H]2c3[nH]c4cccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4c3CCN2C=C1C(=O)OC

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found in taxon

Cephalanthus occidentalis

1 reference

stated in

Six new triterpenoid saponins from the root and stem bark of Cephalanthus occidentalis

Identifiers

InChI

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

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InChIKey

USUGTFYUSIJKAR-OJIXHNPSSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105278515)

methyl (2S,12bS)-2-[(2R)-1-hydroxybut-3-en-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

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Identifiers

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