(Q105256445)

English

[(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[(1S,3R,17S,18R,19R,20R,21S,22S,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

(18,19,21,22,24-Pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl)methyl furan-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

873.269142904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3R,13R,14R,17R,18R,19R,20S,21R,22S,23S,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3R,13S,14R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentakis(acetyloxy)-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7,9,11-trien-20-yl]methyl furan-3-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₁H₄₇NO₂₀

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)C(OC(=O)C)C3OC(=O)C(O)(C)C(C=4C=CN=CC4C(=O)OCC5(OC2(C(OC(=O)C)C5C(OC(=O)C)C1OC(=O)C)C3(O)C)C)C)C6=COC=C6

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isomeric SMILES

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)c2cnccc2[C@H](C)[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]13COC(=O)c1ccoc1)[C@]4(C)O

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Tripterygium hypoglaucum

1 reference

Sesquiterpene alkaloids from Tripterygium hypoglaucum

Tripterygium wilfordii

1 reference

Sesquiterpene alkaloids from Tripterygium hypoglaucum

Identifiers

InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-11-13-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28+,29-,30+,31-,32+,33-,37-,38+,39-,40+,41-/m0/s1

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SNHDYNFTVFWAHX-XCUUYWPVSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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