(Q105140525)

English

[(1R,2S,3S,4R,6R,7S,8S,9S,10R)-9-acetyloxy-6,7-dihydroxy-1,7-dimethyl-2,8-bis[[(Z)-2-methylbut-2-enoyl]oxy]-4-prop-1-en-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

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

1 reference

based on heuristic

inferred from SMILES

mass

608.319662356 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₃₂H₄₈O₁₁

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Kleinia fulgens

1 reference

stated in

Sesquiterpenes from Kleinia species

Identifiers

InChI

InChI=1S/C32H48O11/c1-12-17(6)28(35)40-23-21(16(4)5)15-22(34)31(10,38)25(41-29(36)18(7)13-2)24(39-20(9)33)27-32(11,43-27)26(23)42-30(37)19(8)14-3/h13-14,17,21-27,34,38H,4,12,15H2,1-3,5-11H3/b18-13-,19-14-/t17-,21-,22-,23+,24-,25+,26+,27-,31+,32+/m1/s1

0 references

InChIKey

KFQZVOVQZZCJFE-REHWUINFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFQZVOVQZZCJFE-REHWUINFSA-N

(Q105140525)

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

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