(Q115950250)

English

[(19R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₄₂H₄₈N₂O₁₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

868.290212696 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₈N₂O₁₈

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C=5C=NC=CC5)C(OC(=O)C(C)CCC6=NC=CC=C16)C3(O)C)C

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isomeric SMILES

CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC([C@H](OC(=O)c1cccnc1)C2OC(C)=O)[C@]4(C)O

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found in taxon

Tripterygium wilfordii

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stated in

Sesquiterpene alkaloids from Tripterygium hypoglaucum

Tripterygium hypoglaucum

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stated in

Sesquiterpene alkaloids from Tripterygium hypoglaucum

Identifiers

InChI

InChI=1S/C42H48N2O18/c1-20-13-14-28-27(12-10-16-44-28)38(52)55-18-39(7)29-30(56-22(3)46)34(58-24(5)48)41(19-54-21(2)45)35(59-25(6)49)31(60-37(51)26-11-9-15-43-17-26)33(61-36(20)50)40(8,53)42(41,62-39)32(29)57-23(4)47/h9-12,15-17,20,29-35,53H,13-14,18-19H2,1-8H3/t20?,29?,30?,31-,32?,33?,34?,35?,39?,40-,41?,42?/m0/s1

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InChIKey

AOZDZAAVWCWXHI-XKVHHITMSA-N

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1 reference

2 January 2023

inferred from InChIKey

1 reference

(Q115950250)

[(19R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] pyridine-3-carboxylate

Statements

Identifiers

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