(Q105325264)

English

[(1S,7R,10R,11R)-4-(acetyloxymethyl)-10,11-dimethyl-3-oxo-11-tricyclo[5.3.1.01,5]undec-4-enyl]methyl 3-hydroxy-3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4-(Acetyloxymethyl)-10,11-dimethyl-3-oxo-11-tricyclo[5.3.1.01,5]undec-4-enyl]methyl 3-hydroxy-3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

0 references

canonical SMILES

O=C(OCC=1C(=O)CC23C1CC(CCC2C)C3(C)COC(=O)CC(O)(C)C)C

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isomeric SMILES

CC(=O)OCC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)[C@]3(C)COC(=O)CC(C)(C)O

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found in taxon

Hedlundia hybrida

1 reference

stated in

Isocedrene derivatives and other sesquiterpenes from moscharia pinnatifida

Moscharia pinnatifida

1 reference

stated in

Isocedrene derivatives and other sesquiterpenes from moscharia pinnatifida

Identifiers

InChI

InChI=1S/C22H32O6/c1-13-6-7-15-8-17-16(11-27-14(2)23)18(24)9-22(13,17)21(15,5)12-28-19(25)10-20(3,4)26/h13,15,26H,6-12H2,1-5H3/t13-,15-,21-,22+/m1/s1

0 references

InChIKey

XCMNSLBHRIFFJX-AMJVEMRBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCMNSLBHRIFFJX-AMJVEMRBSA-N

(Q105325264)

[(1S,7R,10R,11R)-4-(acetyloxymethyl)-10,11-dimethyl-3-oxo-11-tricyclo[5.3.1.01,5]undec-4-enyl]methyl 3-hydroxy-3-methylbutanoate

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Identifiers

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