(Q105176252)

English

[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21S)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

chemical compound

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1 reference

(1S,2R,4R,5R,8R,10S,11S,12R,14R,15R,19S,21R)-21-(acetyloxy)-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

(4R,5R,6S,8R,10R,11S,12R,15R,16R,19S,21R)-21-(acetyloxy)-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

574.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4R,5R,6S,8R,10R,11S,12R,14R,15R,16R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16S,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

1 reference

based on heuristic

inferred from InChI

12-Acetoxyamoorastatin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₁₁

0 references

canonical SMILES

O=C(OC1C(=O)C2C34COC(O)C(C)(C(OC(=O)C)CC3O)C4CC(O)C2(C)C56OC6CC(C7=COC=C7)C15C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312

0 references

found in taxon

Melia azedarach

1 reference

stated in

Limonoids from fruit of Melia toosendan and their cytotoxic activity

Identifiers

InChI

InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/s1

0 references

InChIKey

NAHTXVIXCMUDLF-YHROCTQRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NAHTXVIXCMUDLF-YHROCTQRSA-N

1 reference

(Q105176252)

[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21S)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

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