(Q105002184)

English

[(1R,3S,15S,18R,19S,20S,21R,22R,24S,25R,26S)-19,20,22,25-tetraacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[19,20,22,25-tetrakis(acetyloxy)-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7,9,11-trien-21-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,3S,18R,19S,20R,21S,22R,24S,25R,26R)-19,20,22,25-tetraacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

777.248013536 dalton

1 reference

1 reference

C₃₆H₄₃NO₁₈

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(=O)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C(O)(C)CCC5=NC=CC=C15)C3(O)C)C

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isomeric SMILES

CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@](C)(O)CCc4ncccc4C(=O)OC[C@@]4(C)O[C@]1([C@H](OC(C)=O)[C@@H]4C(=O)[C@@H]2OC(C)=O)[C@@]3(C)O

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found in taxon

Tripterygium wilfordii

1 reference

stated in

Immunosuppressive sesquiterpene alkaloids from Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C36H43NO18/c1-16(38)48-15-35-27(52-19(4)41)24(43)23-26(51-18(3)40)36(35)34(8,47)28(25(50-17(2)39)29(35)53-20(5)42)54-31(45)32(6,46)12-11-22-21(10-9-13-37-22)30(44)49-14-33(23,7)55-36/h9-10,13,23,25-29,46-47H,11-12,14-15H2,1-8H3/t23-,25+,26+,27-,28+,29+,32-,33+,34-,35-,36+/m0/s1

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InChIKey

FUYMUDYPTJUYIB-ZWKCRJJPSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105002184)

[(1R,3S,15S,18R,19S,20S,21R,22R,24S,25R,26S)-19,20,22,25-tetraacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

Statements

Identifiers

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