(Q105381013)

English

(1'S,2'R,3S,3'S,5'S)-2'-(hydroxymethyl)-3'-[(2S)-2-hydroxypropyl]spiro[1H-indole-3,6'-8-azabicyclo[3.2.1]octane]-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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mass

316.178692628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₄N₂O₃

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canonical SMILES

CC(O)CC1CC2NC(CC23C(=O)Nc2ccccc23)C1CO

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isomeric SMILES

C[C@H](O)C[C@@H]1C[C@@H]2N[C@@H](C[C@@]23C(=O)Nc2ccccc23)[C@@H]1CO

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found in taxon

Alstonia angustifolia

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stated in

Oxidized derivatives of macroline, sarpagine, and pleiocarpamine alkaloids from Alstonia angustifolia

Identifiers

InChI

InChI=1S/C18H24N2O3/c1-10(22)6-11-7-16-18(8-15(19-16)12(11)9-21)13-4-2-3-5-14(13)20-17(18)23/h2-5,10-12,15-16,19,21-22H,6-9H2,1H3,(H,20,23)/t10-,11+,12+,15-,16-,18-/m0/s1

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InChIKey

ZPMZMDMYYCLKMQ-NVMBSAOKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZPMZMDMYYCLKMQ-NVMBSAOKSA-N

1 reference

(Q105381013)

(1'S,2'R,3S,3'S,5'S)-2'-(hydroxymethyl)-3'-[(2S)-2-hydroxypropyl]spiro[1H-indole-3,6'-8-azabicyclo[3.2.1]octane]-2-one

Statements

Identifiers

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