(Q105339663)

English

[(1S,3S,15R,18R,19S,20S,21S,22S,23S,24R,25S,26S)-20,22,23,25-tetraacetyloxy-19,26-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-21-yl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(20,22,23,25-Tetraacetyloxy-19,26-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-21-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

763.26874898 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-Deacetylwilformine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

[(1S,3R,15S,18S,19R,20R,21S,22S,23R,24R,25S,26S)-20,22,23,25-tetraacetyloxy-19,26-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-21-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₄₅NO₁₇

0 references

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(O)C(OC(=O)C(C)CCC5=NC=CC=C15)C3(O)C)C

0 references

isomeric SMILES

CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1CC[C@@H](C)C(=O)O[C@H]([C@@H](O)[C@H]2OC(C)=O)[C@]4(C)O

0 references

Plenckia populnea

1 reference

Constituents of the root wood of Austroplenckia populnea var. ovata

Tripterygium wilfordii

2 references

Tripfordines A-C, sesquiterpene pyridine alkaloids from Tripterygium wilfordii, and structure anti-HIV activity relationships of Tripterygium alkaloids.

Identification and functional characterization of diterpene synthases for triptolide biosynthesis from Tripterygium wilfordii

Identifiers

InChI=1S/C36H45NO17/c1-16-11-12-23-22(10-9-13-37-23)32(45)48-14-33(7)24-26(49-18(3)39)30(52-21(6)42)35(15-47-17(2)38)29(51-20(5)41)25(43)28(53-31(16)44)34(8,46)36(35,54-33)27(24)50-19(4)40/h9-10,13,16,24-30,43,46H,11-12,14-15H2,1-8H3/t16-,24-,25-,26+,27+,28-,29-,30-,33-,34+,35+,36+/m1/s1

0 references

XQFNOBWSYMSZPY-PFDLSHENSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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