(Q105256437)

English

[(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

chemical compound

In more languages

Statements

type of chemical entity

0 references

(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

[(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

873.269142904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(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

1 reference

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

1 reference

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

0 references

isomeric SMILES

CC(=O)O[C@H]1[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@]3(COC(=O)c2ccoc2)[C@H]1OC(C)=O)[C@]4(C)O

0 references

Tripterygium hypoglaucum

2 references

Structures of sesquiterpene polyol alkaloids from Tripterygium hypoglaucum

Sesquiterpene alkaloids from Tripterygium hypoglaucum

Tripterygium wilfordii

3 references

Sesquiterpene alkaloids from Tripterygium hypoglaucum

Structures of sesquiterpene polyol alkaloids from Tripterygium hypoglaucum

Sesquiterpene alkaloids from Tripterygium hypoglaucum and Tripterygium wilfordii: a new class of potent anti-HIV agents

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-/m1/s1

0 references

SNHDYNFTVFWAHX-KTIRQYCASA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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