(Q105025983)

English

[(1S,4aR,5R,6S,8aR)-3-acetyl-6-acetyloxy-8a-hydroxy-4a,5-dimethyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3-acetyl-6-acetyloxy-8a-hydroxy-4a,5-dimethyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

392.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₇

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canonical SMILES

O=C(OC1C(=O)C(=CC2(C)C(C)C(OC(=O)C)CCC12O)C(=O)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C(=O)C(C(C)=O)=C[C@]2(C)[C@@H](C)[C@@H](OC(C)=O)CC[C@]12O

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found in taxon

Ligularia hodgsonii

1 reference

stated in

Sesquiterpenes fromLigularia Hodgsonii

Identifiers

InChI

InChI=1S/C21H28O7/c1-7-11(2)19(25)28-18-17(24)15(13(4)22)10-20(6)12(3)16(27-14(5)23)8-9-21(18,20)26/h7,10,12,16,18,26H,8-9H2,1-6H3/b11-7-/t12-,16-,18+,20+,21-/m0/s1

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InChIKey

HCTPRCCUEQMKGJ-NOXHXORYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCTPRCCUEQMKGJ-NOXHXORYSA-N

(Q105025983)

[(1S,4aR,5R,6S,8aR)-3-acetyl-6-acetyloxy-8a-hydroxy-4a,5-dimethyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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