(Q105115796)

English

[(1S,3R,18S,24R,26S)-22,23,25-triacetyloxy-21-(acetyloxymethyl)-20,26-dihydroxy-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] benzoate

group of stereoisomers with the chemical formula C₄₁H₄₇NO₁₇

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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

1 reference

1 reference

825.2843990440001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₁H₄₇NO₁₇

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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(O)C(OC(=O)C=5C=CC=CC5)C(OC(=O)C(C)CCC6=NC=CC=C16)C3(O)C)C

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isomeric SMILES

CC(=O)OCC12C(O)C(OC(=O)c3ccccc3)[C@@H]3OC(=O)C(C)CCc4ncccc4C(=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

Peritassa campestris

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stated in

Sesquiterpene pyridine alkaloids from Peritassa campestris

stated in

Sesquiterpene pyridine alkaloids from Peritassa campestris

stated in

Studies towards the detection and identification of sesquiterpene pyridine alkaloids in Peritassa campestris by mass spectrometry

stated in

Sesquiterpene pyridine alkaloids from Peritassa campestris

Tripterygium wilfordii

1 reference

stated in

Sesquiterpene alkaloids from Tripterygiumwilfordii (Hook): a nuclear magnetic resonance study of 1-desacetylwilfordine, 1-desacetylwilfortrine, and 2-debenzoyl-2-nicotinoylwilforine

Identifiers

InChI

InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)34(56-24(5)46)40(19-52-21(2)43)31(47)30(57-36(49)25-12-9-8-10-13-25)33(58-35(20)48)39(7,51)41(40,59-38)32(28)55-23(4)45/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3/t20?,28-,29?,30?,31?,32?,33+,34?,38+,39+,40?,41+/m1/s1

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InChIKey

IMNNEHTZSRSGSH-OGEDKADDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IMNNEHTZSRSGSH-OGEDKADDSA-N

1 reference

(Q105115796)

[(1S,3R,18S,24R,26S)-22,23,25-triacetyloxy-21-(acetyloxymethyl)-20,26-dihydroxy-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] benzoate

Statements

Identifiers

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