(Q105268955)

English

[(1R,2R,4S,5R,6S,8S,9R,11S,13S,14R,15S,16S,18S,19S,20S,21R,22S,25R)-14-acetyloxy-9,25-dihydroxy-21-(hydroxymethyl)-1,15,19,25-tetramethyl-24-oxo-7,12,23-trioxaoctacyclo[20.3.1.02,20.04,19.05,16.06,8.09,15.011,13]hexacosan-18-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[14-Acetyloxy-9,25-dihydroxy-21-(hydroxymethyl)-1,15,19,25-tetramethyl-24-oxo-7,12,23-trioxaoctacyclo[20.3.1.02,20.04,19.05,16.06,8.09,15.011,13]hexacosan-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

604.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₁₁

0 references

canonical SMILES

O=C(OC1CC2C(C3OC3C4(O)CC5OC5C(OC(=O)C)C24C)C6CC7C(C(CO)C8OC(=O)C(O)(C)C7(C)C8)C16C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3O[C@@H]3[C@@]3(O)C[C@@H]4O[C@@H]4[C@H](OC(C)=O)[C@]23C)[C@@H]2C[C@@H]3[C@@H]([C@H](CO)[C@@H]4C[C@@]3(C)[C@@](C)(O)C(=O)O4)[C@@]12C

0 references

Tacca plantaginea

1 reference

Taccalonolides W – Y, Three New Pentacyclic Steroids fromTacca plantaginea

Identifiers

InChI=1S/C32H44O11/c1-12(34)39-20-8-16-21(24-26(43-24)32(38)10-19-23(41-19)25(30(16,32)5)40-13(2)35)15-7-17-22(29(15,20)4)14(11-33)18-9-28(17,3)31(6,37)27(36)42-18/h14-26,33,37-38H,7-11H2,1-6H3/t14-,15+,16+,17-,18+,19+,20+,21-,22-,23+,24+,25+,26+,28-,29-,30+,31+,32+/m1/s1

0 references

UAOFDKZOAQMNHO-CMEDTZPSSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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