(Q105269229)

English

[(1S,2S,3S,4S,6R,7S,8S,9R,10R)-6-acetyloxy-7,9-dihydroxy-1,7-dimethyl-2,8-bis[[(Z)-2-methylbut-2-enoyl]oxy]-4-[(2R)-2-methyloxiran-2-yl]-11-oxabicyclo[8.1.0]undecan-3-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-Acetyloxy-7,9-dihydroxy-1,7-dimethyl-2,8-bis(2-methylbut-2-enoyloxy)-4-(2-methyloxiran-2-yl)-11-oxabicyclo[8.1.0]undecan-3-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

624.314576976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3S,4S,6R,7S,8S,9S,10S)-6-acetyloxy-7,9-dihydroxy-1,7-dimethyl-2,8-bis[[(Z)-2-methylbut-2-enoyl]oxy]-4-[(2R)-2-methyloxiran-2-yl]-11-oxabicyclo[8.1.0]undecan-3-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈O₁₂

0 references

canonical SMILES

O=C(OC1C(O)C2OC2(C)C(OC(=O)C(=CC)C)C(OC(=O)C(C)CC)C(CC(OC(=O)C)C1(O)C)C3(OC3)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)[C@H](C)CC)[C@@H]([C@]2(C)CO2)C[C@@H](OC(C)=O)[C@]1(C)O

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found in taxon

Kleinia fulgens

1 reference

stated in

Sesquiterpenes from Kleinia species

Identifiers

InChI

InChI=1S/C32H48O12/c1-11-16(4)27(35)41-23-20(30(8)15-39-30)14-21(40-19(7)33)31(9,38)24(42-28(36)17(5)12-2)22(34)25-32(10,44-25)26(23)43-29(37)18(6)13-3/h12-13,16,20-26,34,38H,11,14-15H2,1-10H3/b17-12-,18-13-/t16-,20+,21-,22+,23+,24+,25-,26+,30+,31+,32+/m1/s1

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InChIKey

UBDBQLDOKLPQJR-FLOFQLGFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBDBQLDOKLPQJR-FLOFQLGFSA-N

(Q105269229)

[(1S,2S,3S,4S,6R,7S,8S,9R,10R)-6-acetyloxy-7,9-dihydroxy-1,7-dimethyl-2,8-bis[[(Z)-2-methylbut-2-enoyl]oxy]-4-[(2R)-2-methyloxiran-2-yl]-11-oxabicyclo[8.1.0]undecan-3-yl] (2R)-2-methylbutanoate

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