(Q105304319)

English

[(1R,2R,5S,6R,10R,11S,12S,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[18-Acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1,3-diacetylvilasinin

1 reference

based on heuristic

inferred from InChI

[(1S,2R,5S,6R,10R,11S,12R,15R,16R,18S,19S)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₇

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)C3CCC4(C(=CCC4C5=COC=C5)C3(C)C(O)C6OCC1(C)C62)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3[C@@H](O)[C@@]4(C)C5=CC[C@@H](c6ccoc6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32

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found in taxon

Azadirachta indica

1 reference

stated in

Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).

Melia volkensii

1 reference

stated in

New bioactive triterpenoids from Melia volkensii

Identifiers

InChI

InChI=1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11,13,15H2,1-6H3/t19-,21-,22+,23-,24-,25-,26+,27-,28+,29-,30-/m0/s1

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InChIKey

WGBLBVXSYGYVPN-DBWCOQHTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGBLBVXSYGYVPN-DBWCOQHTSA-N

1 reference

(Q105304319)

[(1R,2R,5S,6R,10R,11S,12S,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate

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