(Q104253433)

English

[(1S,3R,20R,23R,25S)-18,19,21,22,24-pentaacetyloxy-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-20-yl]methyl acetate

group of stereoisomers with the chemical formula C₃₈H₄₇NO₁₈

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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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805.279313664 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₇NO₁₈

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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)C(OC(=O)C(C)C(C5=NC=CC=C15)C)C3(O)C)C

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isomeric SMILES

CC(=O)OC[C@@]12C(OC(C)=O)C(OC(C)=O)C3OC(=O)C(C)C(C)c4ncccc4C(=O)OC[C@]4(C)O[C@@]1(C(OC(C)=O)[C@H]4C(OC(C)=O)C2OC(C)=O)[C@@]3(C)O

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found in taxon

Maytenus

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stated in

Sesquiterpene Pyridine Alkaloids from Maytenus chuchuhuasca

Identifiers

InChI

InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16?,17?,25-,27?,28?,29?,30?,31?,32?,35+,36+,37-,38+/m1/s1

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InChIKey

PBFGAFDJVQAMRS-HCWWGJEHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104253433)

[(1S,3R,20R,23R,25S)-18,19,21,22,24-pentaacetyloxy-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-20-yl]methyl acetate

Statements

Identifiers

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