(Q105008175)

English

[(1S,2S,3S,4R,6R,7S,8S,10S)-7-acetyloxy-6-hydroxy-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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Statements

instance of

type of chemical entity

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subclass of

[7-Acetyloxy-6-hydroxy-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

592.324747736 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₁₀

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canonical SMILES

O=C(OC1CC2OC2(C)C(OC(=O)C(=CC)C)C(OC(=O)C(C)CC)C(C(=C)C)CC(O)C1(OC(=O)C)C)C(=CC)C

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isomeric SMILES

C=C(C)[C@H]1C[C@@H](O)[C@](C)(OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)C[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/C32H48O10/c1-12-18(6)28(35)38-24-16-25-32(11,42-25)27(40-30(37)20(8)14-3)26(39-29(36)19(7)13-2)22(17(4)5)15-23(34)31(24,10)41-21(9)33/h12,14,19,22-27,34H,4,13,15-16H2,1-3,5-11H3/b18-12-,20-14-/t19-,22-,23-,24+,25+,26+,27+,31+,32+/m1/s1

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InChIKey

GGLLZIOOCOASQA-YWPCKLFWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GGLLZIOOCOASQA-YWPCKLFWSA-N

(Q105008175)

[(1S,2S,3S,4R,6R,7S,8S,10S)-7-acetyloxy-6-hydroxy-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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