(Q110198971)

English

[18,22-Diacetyloxy-20-(acetyloxymethyl)-19,21-dibenzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate

group of stereoisomers with the chemical formula C₅₃H₅₃NO₁₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

991.326263856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₃H₅₃NO₁₈

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C=5C=CC=CC5)C2C(OC(=O)C)C(OC(=O)C=6C=CC=CC6)C4(COC(=O)C)C(OC(=O)C=7C=CC=CC7)C(OC(=O)C)C(OC(=O)C(C)C(C8=NC=CC=C18)C)C3(O)C)C

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found in taxon

Celastrus

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stated in

Celahinine A, a new sesquiterpene pyridine alkaloid from Celastrus hindsii

Identifiers

InChI

InChI=1S/C53H53NO18/c1-28-29(2)45(58)69-42-40(67-32(5)57)44(71-48(61)35-22-15-10-16-23-35)52(27-64-30(3)55)43(70-47(60)34-20-13-9-14-21-34)39(66-31(4)56)37-41(68-46(59)33-18-11-8-12-19-33)53(52,51(42,7)63)72-50(37,6)26-65-49(62)36-24-17-25-54-38(28)36/h8-25,28-29,37,39-44,63H,26-27H2,1-7H3

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InChIKey

XUNSLSCXXHEUHR-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110198971)

[18,22-Diacetyloxy-20-(acetyloxymethyl)-19,21-dibenzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate

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Identifiers

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