(Q105216517)

English

(3R,14S,17S,24R,25S)-18,21,22-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-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-7,9,11-trien-24-yl benzoate

group of stereoisomers with the chemical formula C₄₈H₅₁NO₁₈

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

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inferred from

eudesmane sesquiterpenoid

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929.310613792 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₈H₅₁NO₁₈

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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=CC=CC6)C(OC(=O)C)C(OC(=O)C(C)C(C7=NC=CC=C17)C)C3(O)C)C

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isomeric SMILES

CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3[C@@H](OC(=O)c4ccccc4)C14O[C@@]3(C)COC(=O)c1cccnc1C(C)[C@H](C)C(=O)O[C@@H](C(OC(C)=O)C2OC(=O)c1ccccc1)[C@]4(C)O

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Identifiers

InChI

InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24?,25-,33?,35?,36?,37+,38-,39?,40?,45-,46-,47?,48?/m0/s1

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InChIKey

PYDAEIINPZJDBO-MZSQQLQJSA-N

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PubChem CID

5317279

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PYDAEIINPZJDBO-MZSQQLQJSA-N

1 reference

(Q105216517)

(3R,14S,17S,24R,25S)-18,21,22-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-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-7,9,11-trien-24-yl benzoate

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