(Q105290787)

English

21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₄₅H₄₈N₂O₁₇

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instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

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inferred from

eudesmane sesquiterpenoid

1 reference

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888.2952980760004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₄₈N₂O₁₇

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C=5C=CC=CC5)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C=6C=NC=CC6)C(O)C(OC(=O)C(C)C(C7=NC=CC=C17)C)C3(O)C)C

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Identifiers

InChI

InChI=1S/C45H48N2O17/c1-22-23(2)38(52)62-35-32(51)36(63-40(54)28-15-11-17-46-19-28)44(21-57-24(3)48)37(60-26(5)50)33(59-25(4)49)30-34(61-39(53)27-13-9-8-10-14-27)45(44,43(35,7)56)64-42(30,6)20-58-41(55)29-16-12-18-47-31(22)29/h8-19,22-23,30,32-37,51,56H,20-21H2,1-7H3

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InChIKey

VPHAQFZCRNMBDW-UHFFFAOYSA-N

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PubChem CID

14635604

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VPHAQFZCRNMBDW-UHFFFAOYSA-N

(Q105290787)

21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-19-yl pyridine-3-carboxylate

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