(Q104987918)

English

(2R)-2-[(7S,8R,8aR)-7-acetyloxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[(2R)-2-methylbutanoyl]oxypropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-(7-Acetyloxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(2-methylbutanoyloxy)propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

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canonical SMILES

O=C1C=C2CCC(OC(=O)C)C(C)C2(C=C1C(OC(=O)C(C)CC)(C(=O)O)C)C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@@](C)(C(=O)O)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](OC(C)=O)[C@@H]2C

0 references

found in taxon

Ligularia przewalskii

1 reference

stated in

Five New Eremophilane Sesquiterpenes fromLigularia przewalskii

Identifiers

InChI

InChI=1S/C22H30O7/c1-7-12(2)19(25)29-22(6,20(26)27)16-11-21(5)13(3)18(28-14(4)23)9-8-15(21)10-17(16)24/h10-13,18H,7-9H2,1-6H3,(H,26,27)/t12-,13+,18+,21-,22-/m1/s1

0 references

InChIKey

DSNWNSUDTKYKHT-GJNYGTNHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSNWNSUDTKYKHT-GJNYGTNHSA-N

(Q104987918)

(2R)-2-[(7S,8R,8aR)-7-acetyloxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[(2R)-2-methylbutanoyl]oxypropanoic acid

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Identifiers

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