(Q104401124)

English

[(1R,2R,6S,8S,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-19-hydroxy-1,9,11,16-tetramethyl-8-(5-oxo-2H-furan-4-yl)-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[17-acetyloxy-19-hydroxy-1,9,11,16-tetramethyl-8-(5-oxo-2H-furan-4-yl)-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

584.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,6R,8S,11S,12R,13S,16S,17S,19R,20S)-17-acetyloxy-19-hydroxy-1,9,11,16-tetramethyl-8-(5-oxo-2H-furan-4-yl)-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

C₃₃H₄₄O₉

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canonical SMILES

O=C1OCC=C1C2C(=C3C(OCCC4C3(C)C(OC(=O)C(=CC)C)C5OCC6(C)C(OC(=O)C)CC(O)C4(C)C56)C2)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4CCO[C@H]5C[C@H](C6=CCOC6=O)C(C)=C5[C@]14C)[C@@H]23

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found in taxon

Momordica charantia

1 reference

stated in

Cucurbitane-type triterpenoids from the African plant Momordica balsamina

Identifiers

InChI

InChI=1S/C33H44O9/c1-8-16(2)29(36)42-28-26-27-31(5,15-40-26)24(41-18(4)34)14-23(35)32(27,6)22-10-12-38-21-13-20(19-9-11-39-30(19)37)17(3)25(21)33(22,28)7/h8-9,20-24,26-28,35H,10-15H2,1-7H3/b16-8+/t20-,21-,22+,23-,24+,26+,27-,28+,31+,32-,33+/m0/s1

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InChIKey

POBWGJYVMWYKSK-YCIQNUEZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POBWGJYVMWYKSK-YCIQNUEZSA-N

1 reference

(Q104401124)

[(1R,2R,6S,8S,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-19-hydroxy-1,9,11,16-tetramethyl-8-(5-oxo-2H-furan-4-yl)-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate

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