(Q105349461)

English

[(1R,2S,3S,4R,6R,7S,8S,9S,10R)-6-acetyloxy-7,9-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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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

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mass

608.319662356 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₁₁

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canonical SMILES

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

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isomeric SMILES

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

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stated in

Sesquiterpenes from Kleinia species

Identifiers

InChI

InChI=1S/C32H48O11/c1-12-17(6)28(35)40-24-21(16(4)5)15-22(39-20(9)33)31(10,38)25(41-29(36)18(7)13-2)23(34)26-32(11,43-26)27(24)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

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InChIKey

YJSRUVLMESOVTP-RBCCHNGDSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105349461)

[(1R,2S,3S,4R,6R,7S,8S,9S,10R)-6-acetyloxy-7,9-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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Identifiers

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